N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide

C37H37N3O7 — CID 23958212

IUPACN-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCO)C[C@@H]4C)c4cc(NC(=O)c5ccc(OC)cc5)ccc43)cc2)cc1
InChIInChI=1S/C37H37N3O7/c1-23-20-31(18-19-41)47-37(23)32-21-28(39-35(43)26-8-15-30(46-3)16-9-26)12-17-33(32)40(36(37)44)22-24-4-10-27(11-5-24)38-34(42)25-6-13-29(45-2)14-7-25/h4-17,21,23,31,41H,18-20,22H2,1-3H3,(H,38,42)(H,39,43)/t23-,31+,37+/m0/s1
InChIKeyDZTHUWFFMVPYDN-LEUFEUSZSA-N
MW635.72 g/mol
LogP5.76
Rot. Bonds10

About N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide

N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide (PubChem CID 23958212) has the molecular formula C37H37N3O7 and a molecular weight of 635.72 g/mol. Its IUPAC name is N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide
PubChem CID23958212
Molecular FormulaC37H37N3O7
Molecular Weight635.72 g/mol
Exact Mass635.26
IUPAC NameN-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCO)C[C@@H]4C)c4cc(NC(=O)c5ccc(OC)cc5)ccc43)cc2)cc1
InChIInChI=1S/C37H37N3O7/c1-23-20-31(18-19-41)47-37(23)32-21-28(39-35(43)26-8-15-30(46-3)16-9-26)12-17-33(32)40(36(37)44)22-24-4-10-27(11-5-24)38-34(42)25-6-13-29(45-2)14-7-25/h4-17,21,23,31,41H,18-20,22H2,1-3H3,(H,38,42)(H,39,43)/t23-,31+,37+/m0/s1
InChIKeyDZTHUWFFMVPYDN-LEUFEUSZSA-N
XLogP5.76
TPSA126.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.72
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide with MolForge

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Related Compounds

N-[4-[[(3R,3'S,5'S)-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide
CID 23760177
N-[4-[[(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide
CID 23816954
N-[(3S,3'R,5'R)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide
CID 23874549
N-[(3R,3'S,4'S,5'R)-1-benzyl-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide
CID 23958237
N-[(3S,3'S,4'R,5'S)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide
CID 23901707
N-[3-[[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide
CID 23901450
N-[(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide
CID 23900981
4-amino-N-[(3S,3'S,4'R,5'S)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide
CID 23985364
N-[4-[[(3R,3'R,4'S,5'R)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[fluoro(dimethyl)silyl]-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide
CID 23984035
N-[4-[[(3R,3'S,4'S,5'R)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-(2-fluoropropan-2-yl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide
CID 23846682
N-[4-[[(3S,3'R,4'S,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-5-[(4-methoxybenzoyl)amino]-4'-[2-(4-methoxyphenyl)propan-2-yl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide
CID 23958270
4-amino-N-[4-[[(3R,3'R,4'S,5'R)-5-[(4-aminobenzoyl)amino]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide
CID 23872873

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide (CID 23958212) is N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(CN3C(=O)[C@]4(O[C@H](CCO)C[C@@H]4C)c4cc(NC(=O)c5ccc(OC)cc5)ccc43)cc2)cc1.
What is the InChIKey of N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide?
The InChIKey is DZTHUWFFMVPYDN-LEUFEUSZSA-N. The full InChI is InChI=1S/C37H37N3O7/c1-23-20-31(18-19-41)47-37(23)32-21-28(39-35(43)26-8-15-30(46-3)16-9-26)12-17-33(32)40(36(37)44)22-24-4-10-27(11-5-24)38-34(42)25-6-13-29(45-2)14-7-25/h4-17,21,23,31,41H,18-20,22H2,1-3H3,(H,38,42)(H,39,43)/t23-,31+,37+/m0/s1.
What are the key properties of N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide?
N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide has a molecular weight of 635.72 g/mol, XLogP of 5.76, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R,3'S,5'S)-5'-(2-hydroxyethyl)-5-[(4-methoxybenzoyl)amino]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 23958212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).