4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide

C16H23N3O2 — CID 24692664

IUPAC4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
SMILESCC1CCC(NC(=O)CNC(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C16H23N3O2/c1-11-2-8-14(9-3-11)19-15(20)10-18-16(21)12-4-6-13(17)7-5-12/h4-7,11,14H,2-3,8-10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeySBGRDEOMJQKMRT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.69
Rot. Bonds4

About 4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide

4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide (PubChem CID 24692664) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
PubChem CID24692664
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
SMILESCC1CCC(NC(=O)CNC(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C16H23N3O2/c1-11-2-8-14(9-3-11)19-15(20)10-18-16(21)12-4-6-13(17)7-5-12/h4-7,11,14H,2-3,8-10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeySBGRDEOMJQKMRT-UHFFFAOYSA-N
XLogP1.69
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24982875
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880469
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788243
4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide
CID 110877644
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46536013
4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
6-(4-methylpiperidin-1-yl)-N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyridine-3-carboxamide
CID 146150272
2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 62697537

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide (CID 24692664) is 4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide is CC1CCC(NC(=O)CNC(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
The InChIKey is SBGRDEOMJQKMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-2-8-14(9-3-11)19-15(20)10-18-16(21)12-4-6-13(17)7-5-12/h4-7,11,14H,2-3,8-10,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24692664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).