N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide

C18H22N2O2 — CID 91562917

IUPACN-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide
SMILESO=C(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H22N2O2/c21-17(18(22)20-11-13-6-2-1-3-7-13)10-14-12-19-16-9-5-4-8-15(14)16/h4-5,8-9,12-13,19H,1-3,6-7,10-11H2,(H,20,22)
InChIKeyMSVDDOACKORBAY-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.98
Rot. Bonds5

About N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide

N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide (PubChem CID 91562917) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide
PubChem CID91562917
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide
SMILESO=C(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H22N2O2/c21-17(18(22)20-11-13-6-2-1-3-7-13)10-14-12-19-16-9-5-4-8-15(14)16/h4-5,8-9,12-13,19H,1-3,6-7,10-11H2,(H,20,22)
InChIKeyMSVDDOACKORBAY-UHFFFAOYSA-N
XLogP2.98
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxy-2-(1H-indol-3-yl)acetamide
CID 83202752
N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 68709397
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one
CID 11817694
1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 71932055
CID 87710053
CID 87710053
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
N-(cyclohexylmethyl)-2-[(2,6-dimethoxyphenyl)carbamoylamino]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 21255298
[(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate
CID 134107242

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide (CID 91562917) is N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide is O=C(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide?
The InChIKey is MSVDDOACKORBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17(18(22)20-11-13-6-2-1-3-7-13)10-14-12-19-16-9-5-4-8-15(14)16/h4-5,8-9,12-13,19H,1-3,6-7,10-11H2,(H,20,22).
What are the key properties of N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide?
N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide is sourced from PubChem (CID 91562917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).