3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide

C35H34N4O3 — CID 24978966

IUPAC3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(N3CCC4(CC3)CC(c3ccccc3)=NO4)c(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C35H34N4O3/c1-25-12-14-26(15-13-25)24-36-33(40)29-16-17-32(30(22-29)37-34(41)28-10-6-3-7-11-28)39-20-18-35(19-21-39)23-31(38-42-35)27-8-4-2-5-9-27/h2-17,22H,18-21,23-24H2,1H3,(H,36,40)(H,37,41)
InChIKeyHNGRAQXMJQSPJD-UHFFFAOYSA-N
MW558.68 g/mol
LogP6.34
Rot. Bonds7

About 3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide

3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide (PubChem CID 24978966) has the molecular formula C35H34N4O3 and a molecular weight of 558.68 g/mol. Its IUPAC name is 3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide.

Molecular Properties

Compound Name3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide
PubChem CID24978966
Molecular FormulaC35H34N4O3
Molecular Weight558.68 g/mol
Exact Mass558.26
IUPAC Name3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(N3CCC4(CC3)CC(c3ccccc3)=NO4)c(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C35H34N4O3/c1-25-12-14-26(15-13-25)24-36-33(40)29-16-17-32(30(22-29)37-34(41)28-10-6-3-7-11-28)39-20-18-35(19-21-39)23-31(38-42-35)27-8-4-2-5-9-27/h2-17,22H,18-21,23-24H2,1H3,(H,36,40)(H,37,41)
InChIKeyHNGRAQXMJQSPJD-UHFFFAOYSA-N
XLogP6.34
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide
CID 24816797
3-amino-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide
CID 24819562
N-[(4-methylphenyl)methyl]-3-(2-phenylethylcarbamoylamino)-4-pyrrolidin-1-ylbenzamide
CID 20964867
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-[3-(benzylcarbamoylamino)-4-pyrrolidin-1-ylphenyl]-4-methylbenzamide
CID 46326423
[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(4-methylphenyl)methyl]carbamate
CID 69278103
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 59652423
ethyl 2-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyrrolidin-1-ylphenyl]carbamoylamino]acetate
CID 20964866
3-[(4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285212
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide
CID 23905336

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide?
The IUPAC name of 3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide (CID 24978966) is 3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide.
What is the SMILES notation for 3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide?
The canonical SMILES for 3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide is Cc1ccc(CNC(=O)c2ccc(N3CCC4(CC3)CC(c3ccccc3)=NO4)c(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide?
The InChIKey is HNGRAQXMJQSPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4O3/c1-25-12-14-26(15-13-25)24-36-33(40)29-16-17-32(30(22-29)37-34(41)28-10-6-3-7-11-28)39-20-18-35(19-21-39)23-31(38-42-35)27-8-4-2-5-9-27/h2-17,22H,18-21,23-24H2,1H3,(H,36,40)(H,37,41).
What are the key properties of 3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide?
3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide has a molecular weight of 558.68 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide is sourced from PubChem (CID 24978966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).