CID 59880224

C29H30N3O5 — CID 59880224

IUPAC—
SMILESCOc1ccccc1CN(CC(CC1=C[N]c2ccccc21)NC(=O)COc1ccc(O)cc1)C(C)=O
InChIInChI=1S/C29H30N3O5/c1-20(33)32(17-21-7-3-6-10-28(21)36-2)18-23(15-22-16-30-27-9-5-4-8-26(22)27)31-29(35)19-37-25-13-11-24(34)12-14-25/h3-14,16,23,34H,15,17-19H2,1-2H3,(H,31,35)
InChIKeyXOMJUFGSSWHEJX-UHFFFAOYSA-N
MW500.58 g/mol
LogP3.99
Rot. Bonds11

About CID 59880224

CID 59880224 (PubChem CID 59880224) has the molecular formula C29H30N3O5 and a molecular weight of 500.58 g/mol.

Molecular Properties

Compound NameCID 59880224
PubChem CID59880224
Molecular FormulaC29H30N3O5
Molecular Weight500.58 g/mol
Exact Mass500.22
IUPAC Name—
SMILESCOc1ccccc1CN(CC(CC1=C[N]c2ccccc21)NC(=O)COc1ccc(O)cc1)C(C)=O
InChIInChI=1S/C29H30N3O5/c1-20(33)32(17-21-7-3-6-10-28(21)36-2)18-23(15-22-16-30-27-9-5-4-8-26(22)27)31-29(35)19-37-25-13-11-24(34)12-14-25/h3-14,16,23,34H,15,17-19H2,1-2H3,(H,31,35)
InChIKeyXOMJUFGSSWHEJX-UHFFFAOYSA-N
XLogP3.99
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 59880226
CID 59880226
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
2-(4-hydroxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 43326297
N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 167927105

Frequently Asked Questions

What is the IUPAC name of CID 59880224?
The IUPAC name of CID 59880224 (CID 59880224) is not available.
What is the SMILES notation for CID 59880224?
The canonical SMILES for CID 59880224 is COc1ccccc1CN(CC(CC1=C[N]c2ccccc21)NC(=O)COc1ccc(O)cc1)C(C)=O.
What is the InChIKey of CID 59880224?
The InChIKey is XOMJUFGSSWHEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N3O5/c1-20(33)32(17-21-7-3-6-10-28(21)36-2)18-23(15-22-16-30-27-9-5-4-8-26(22)27)31-29(35)19-37-25-13-11-24(34)12-14-25/h3-14,16,23,34H,15,17-19H2,1-2H3,(H,31,35).
What are the key properties of CID 59880224?
CID 59880224 has a molecular weight of 500.58 g/mol, XLogP of 3.99, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59880224 is sourced from PubChem (CID 59880224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).