CID 59880226

C30H30N3O6 — CID 59880226

IUPAC—
SMILESCOc1ccccc1CN(CC(CC1=C[N]c2ccccc21)NC(=O)COc1ccc(C(=O)O)cc1)C(C)=O
InChIInChI=1S/C30H30N3O6/c1-20(34)33(17-22-7-3-6-10-28(22)38-2)18-24(15-23-16-31-27-9-5-4-8-26(23)27)32-29(35)19-39-25-13-11-21(12-14-25)30(36)37/h3-14,16,24H,15,17-19H2,1-2H3,(H,32,35)(H,36,37)
InChIKeyGVRGZISBDOGNPU-UHFFFAOYSA-N
MW528.59 g/mol
LogP3.99
Rot. Bonds12

About CID 59880226

CID 59880226 (PubChem CID 59880226) has the molecular formula C30H30N3O6 and a molecular weight of 528.59 g/mol.

Molecular Properties

Compound NameCID 59880226
PubChem CID59880226
Molecular FormulaC30H30N3O6
Molecular Weight528.59 g/mol
Exact Mass528.21
IUPAC Name—
SMILESCOc1ccccc1CN(CC(CC1=C[N]c2ccccc21)NC(=O)COc1ccc(C(=O)O)cc1)C(C)=O
InChIInChI=1S/C30H30N3O6/c1-20(34)33(17-22-7-3-6-10-28(22)38-2)18-24(15-23-16-31-27-9-5-4-8-26(23)27)32-29(35)19-39-25-13-11-21(12-14-25)30(36)37/h3-14,16,24H,15,17-19H2,1-2H3,(H,32,35)(H,36,37)
InChIKeyGVRGZISBDOGNPU-UHFFFAOYSA-N
XLogP3.99
TPSA119.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.59
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 59880224
CID 59880224
CID 59880242
CID 59880242
4-[2-[[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethoxy]benzoic acid
CID 18709617
4-[2-[[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethoxy]benzoic acid
CID 15549914
N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18709669
methyl 2-[4-[2-[[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethoxy]phenyl]acetate
CID 18709611
2-[4-[2-[[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethoxy]phenyl]-N-methylacetamide
CID 18709653
N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(cyanomethyl)phenoxy]acetamide;molecular hydrogen
CID 160616832
N-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 54139796
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
CID 113055840
N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 167927105
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282

Frequently Asked Questions

What is the IUPAC name of CID 59880226?
The IUPAC name of CID 59880226 (CID 59880226) is not available.
What is the SMILES notation for CID 59880226?
The canonical SMILES for CID 59880226 is COc1ccccc1CN(CC(CC1=C[N]c2ccccc21)NC(=O)COc1ccc(C(=O)O)cc1)C(C)=O.
What is the InChIKey of CID 59880226?
The InChIKey is GVRGZISBDOGNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N3O6/c1-20(34)33(17-22-7-3-6-10-28(22)38-2)18-24(15-23-16-31-27-9-5-4-8-26(23)27)32-29(35)19-39-25-13-11-21(12-14-25)30(36)37/h3-14,16,24H,15,17-19H2,1-2H3,(H,32,35)(H,36,37).
What are the key properties of CID 59880226?
CID 59880226 has a molecular weight of 528.59 g/mol, XLogP of 3.99, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59880226 is sourced from PubChem (CID 59880226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).