N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide

C31H33N3O2 — CID 132543975

IUPACN-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide
SMILESCn1cc(CC(=O)N(c2ccccc2)C(C(=O)NC2CCCCC2)c2ccccc2)c2ccccc21
InChIInChI=1S/C31H33N3O2/c1-33-22-24(27-19-11-12-20-28(27)33)21-29(35)34(26-17-9-4-10-18-26)30(23-13-5-2-6-14-23)31(36)32-25-15-7-3-8-16-25/h2,4-6,9-14,17-20,22,25,30H,3,7-8,15-16,21H2,1H3,(H,32,36)
InChIKeyXCUFWWOMFJWLLK-UHFFFAOYSA-N
MW479.62 g/mol
LogP5.94
Rot. Bonds7

About N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide

N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide (PubChem CID 132543975) has the molecular formula C31H33N3O2 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide
PubChem CID132543975
Molecular FormulaC31H33N3O2
Molecular Weight479.62 g/mol
Exact Mass479.26
IUPAC NameN-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide
SMILESCn1cc(CC(=O)N(c2ccccc2)C(C(=O)NC2CCCCC2)c2ccccc2)c2ccccc21
InChIInChI=1S/C31H33N3O2/c1-33-22-24(27-19-11-12-20-28(27)33)21-29(35)34(26-17-9-4-10-18-26)30(23-13-5-2-6-14-23)31(36)32-25-15-7-3-8-16-25/h2,4-6,9-14,17-20,22,25,30H,3,7-8,15-16,21H2,1H3,(H,32,36)
InChIKeyXCUFWWOMFJWLLK-UHFFFAOYSA-N
XLogP5.94
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide
CID 3202307
2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
CID 53364514
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide
CID 3190864
(2S)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide
CID 40785913
N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide
CID 3215262
2-[1,3-benzodioxol-5-yl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-phenylacetamide
CID 3190705
1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea
CID 110748890
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide
CID 25309220
(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-4-ylacetamide
CID 25309103
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 3190799

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide (CID 132543975) is N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide is Cn1cc(CC(=O)N(c2ccccc2)C(C(=O)NC2CCCCC2)c2ccccc2)c2ccccc21.
What is the InChIKey of N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide?
The InChIKey is XCUFWWOMFJWLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O2/c1-33-22-24(27-19-11-12-20-28(27)33)21-29(35)34(26-17-9-4-10-18-26)30(23-13-5-2-6-14-23)31(36)32-25-15-7-3-8-16-25/h2,4-6,9-14,17-20,22,25,30H,3,7-8,15-16,21H2,1H3,(H,32,36).
What are the key properties of N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide?
N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide has a molecular weight of 479.62 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(N-[2-(1-methylindol-3-yl)acetyl]anilino)-2-phenylacetamide is sourced from PubChem (CID 132543975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).