2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide

C19H25N3O2 — CID 154541509

IUPAC2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide
SMILESCC(=O)NC(Cc1cc2ccccc2[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C19H25N3O2/c1-13(23)20-18(19(24)22-15-8-3-2-4-9-15)12-16-11-14-7-5-6-10-17(14)21-16/h5-7,10-11,15,18,21H,2-4,8-9,12H2,1H3,(H,20,23)(H,22,24)
InChIKeyKNSPINFAVJWFJZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.66
Rot. Bonds5

About 2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide

2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide (PubChem CID 154541509) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide
PubChem CID154541509
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide
SMILESCC(=O)NC(Cc1cc2ccccc2[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C19H25N3O2/c1-13(23)20-18(19(24)22-15-8-3-2-4-9-15)12-16-11-14-7-5-6-10-17(14)21-16/h5-7,10-11,15,18,21H,2-4,8-9,12H2,1H3,(H,20,23)(H,22,24)
InChIKeyKNSPINFAVJWFJZ-UHFFFAOYSA-N
XLogP2.66
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 6722885
1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine
CID 111087874
2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide
CID 47086404
3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7723076
2-acetamido-N-cycloheptyl-3-sulfanylpropanamide
CID 107769078
1-(1H-indol-2-yl)-2-(iodoamino)-4-methylpentan-3-one
CID 176556183
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-2-yl)propanoic acid
CID 14678463
(2S)-2-acetamido-3-phenylpropanoic acid;N-cyclohexylcyclohexanamine
CID 71411659
N-cyclohexyl-2-oxo-1H-quinoline-3-carboxamide
CID 11011060
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide?
The IUPAC name of 2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide (CID 154541509) is 2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide?
The canonical SMILES for 2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide is CC(=O)NC(Cc1cc2ccccc2[nH]1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide?
The InChIKey is KNSPINFAVJWFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(23)20-18(19(24)22-15-8-3-2-4-9-15)12-16-11-14-7-5-6-10-17(14)21-16/h5-7,10-11,15,18,21H,2-4,8-9,12H2,1H3,(H,20,23)(H,22,24).
What are the key properties of 2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide?
2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-cyclohexyl-3-(1H-indol-2-yl)propanamide is sourced from PubChem (CID 154541509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).