N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide

C18H28N2O — CID 63501540

IUPACN-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCC1CCC(C)CC1
InChIInChI=1S/C18H28N2O/c1-3-12-19-17-7-5-4-6-16(17)18(21)20-13-15-10-8-14(2)9-11-15/h4-7,14-15,19H,3,8-13H2,1-2H3,(H,20,21)
InChIKeyCZZILEKODKVTDP-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.06
Rot. Bonds6

About N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide

N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide (PubChem CID 63501540) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide
PubChem CID63501540
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCC1CCC(C)CC1
InChIInChI=1S/C18H28N2O/c1-3-12-19-17-7-5-4-6-16(17)18(21)20-13-15-10-8-14(2)9-11-15/h4-7,14-15,19H,3,8-13H2,1-2H3,(H,20,21)
InChIKeyCZZILEKODKVTDP-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63244405
N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide
CID 63108480
4-methyl-N-[(3-methylcyclopentyl)methyl]-2-(propylamino)benzamide
CID 107415255
2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586609
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylbenzamide
CID 62241479
N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide
CID 64732342
N-(2-cyclopropyl-2-hydroxyethyl)-2-(propylamino)benzamide
CID 63297170
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 62168218
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
2-(ethylamino)-N-(4-methylcyclohexyl)benzamide
CID 62171591
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide (CID 63501540) is N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)NCC1CCC(C)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide?
The InChIKey is CZZILEKODKVTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-12-19-17-7-5-4-6-16(17)18(21)20-13-15-10-8-14(2)9-11-15/h4-7,14-15,19H,3,8-13H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide?
N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide has a molecular weight of 288.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide is sourced from PubChem (CID 63501540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).