N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide

C17H26N2O — CID 62702969

IUPACN-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide
SMILESCNC(=O)c1cccc(NC2CCC(C(C)C)CC2)c1
InChIInChI=1S/C17H26N2O/c1-12(2)13-7-9-15(10-8-13)19-16-6-4-5-14(11-16)17(20)18-3/h4-6,11-13,15,19H,7-10H2,1-3H3,(H,18,20)
InChIKeyQUTIYCUSVRDBFA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.67
Rot. Bonds4

About N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide

N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide (PubChem CID 62702969) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide
PubChem CID62702969
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide
SMILESCNC(=O)c1cccc(NC2CCC(C(C)C)CC2)c1
InChIInChI=1S/C17H26N2O/c1-12(2)13-7-9-15(10-8-13)19-16-6-4-5-14(11-16)17(20)18-3/h4-6,11-13,15,19H,7-10H2,1-3H3,(H,18,20)
InChIKeyQUTIYCUSVRDBFA-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114817145
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CID 43693920
N-methyl-3-(thian-3-ylamino)benzamide
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N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide
CID 62702824
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide
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N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942700
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 115375907
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087459
3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide
CID 104860210
N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43680712

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide?
The IUPAC name of N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide (CID 62702969) is N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide.
What is the SMILES notation for N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide?
The canonical SMILES for N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide is CNC(=O)c1cccc(NC2CCC(C(C)C)CC2)c1.
What is the InChIKey of N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide?
The InChIKey is QUTIYCUSVRDBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)13-7-9-15(10-8-13)19-16-6-4-5-14(11-16)17(20)18-3/h4-6,11-13,15,19H,7-10H2,1-3H3,(H,18,20).
What are the key properties of N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide?
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide has a molecular weight of 274.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide is sourced from PubChem (CID 62702969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).