CID 59880242

C32H31N4O4 — CID 59880242

IUPAC—
SMILESCOc1ccccc1CN(CC(CC1=C[N]c2ccccc21)NC(=O)COc1ccc2ncccc2c1)C(C)=O
InChIInChI=1S/C32H31N4O4/c1-22(37)36(19-24-8-3-6-12-31(24)39-2)20-26(16-25-18-34-30-11-5-4-10-28(25)30)35-32(38)21-40-27-13-14-29-23(17-27)9-7-15-33-29/h3-15,17-18,26H,16,19-21H2,1-2H3,(H,35,38)
InChIKeyIKUYJOVBGCIBDP-UHFFFAOYSA-N
MW535.62 g/mol
LogP4.84
Rot. Bonds11

About CID 59880242

CID 59880242 (PubChem CID 59880242) has the molecular formula C32H31N4O4 and a molecular weight of 535.62 g/mol.

Molecular Properties

Compound NameCID 59880242
PubChem CID59880242
Molecular FormulaC32H31N4O4
Molecular Weight535.62 g/mol
Exact Mass535.23
IUPAC Name—
SMILESCOc1ccccc1CN(CC(CC1=C[N]c2ccccc21)NC(=O)COc1ccc2ncccc2c1)C(C)=O
InChIInChI=1S/C32H31N4O4/c1-22(37)36(19-24-8-3-6-12-31(24)39-2)20-26(16-25-18-34-30-11-5-4-10-28(25)30)35-32(38)21-40-27-13-14-29-23(17-27)9-7-15-33-29/h3-15,17-18,26H,16,19-21H2,1-2H3,(H,35,38)
InChIKeyIKUYJOVBGCIBDP-UHFFFAOYSA-N
XLogP4.84
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.62
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 59880224
CID 59880224
CID 59880226
CID 59880226
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
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
N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18709669
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-butan-2-yl-2-quinolin-6-yloxyacetamide
CID 47453985
N-(4-methoxyphenyl)-2-quinolin-6-yloxyacetamide
CID 112978693
N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26181291

Frequently Asked Questions

What is the IUPAC name of CID 59880242?
The IUPAC name of CID 59880242 (CID 59880242) is not available.
What is the SMILES notation for CID 59880242?
The canonical SMILES for CID 59880242 is COc1ccccc1CN(CC(CC1=C[N]c2ccccc21)NC(=O)COc1ccc2ncccc2c1)C(C)=O.
What is the InChIKey of CID 59880242?
The InChIKey is IKUYJOVBGCIBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N4O4/c1-22(37)36(19-24-8-3-6-12-31(24)39-2)20-26(16-25-18-34-30-11-5-4-10-28(25)30)35-32(38)21-40-27-13-14-29-23(17-27)9-7-15-33-29/h3-15,17-18,26H,16,19-21H2,1-2H3,(H,35,38).
What are the key properties of CID 59880242?
CID 59880242 has a molecular weight of 535.62 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59880242 is sourced from PubChem (CID 59880242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).