3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide

C16H24N2O2 — CID 64750811

IUPAC3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC1CC(C)CC(C)C1
InChIInChI=1S/C16H24N2O2/c1-10-6-11(2)8-13(7-10)18-14-9-12(16(17)19)4-5-15(14)20-3/h4-5,9-11,13,18H,6-8H2,1-3H3,(H2,17,19)
InChIKeyBCBIUWYTXYGUDB-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.03
Rot. Bonds4

About 3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide

3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide (PubChem CID 64750811) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide
PubChem CID64750811
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC1CC(C)CC(C)C1
InChIInChI=1S/C16H24N2O2/c1-10-6-11(2)8-13(7-10)18-14-9-12(16(17)19)4-5-15(14)20-3/h4-5,9-11,13,18H,6-8H2,1-3H3,(H2,17,19)
InChIKeyBCBIUWYTXYGUDB-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide
CID 43735416
3-amino-4-[(3,5-dimethylcyclohexyl)amino]benzamide
CID 64732070
N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
CID 64752342
3-methyl-4-[(3-methylcyclobutyl)amino]benzamide
CID 103561285
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792
4-methoxy-3-(oxepan-4-ylamino)benzamide
CID 65081746
3-[(1,1-dioxothian-3-yl)amino]-4-methoxybenzamide
CID 63922418
4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide
CID 43789041
3-[(3,4-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
CID 64746815
3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
methyl 4-[(3,5-dimethylcyclohexyl)amino]-3-methylbenzoate
CID 64752950

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide?
The IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide (CID 64750811) is 3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide.
What is the SMILES notation for 3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide?
The canonical SMILES for 3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NC1CC(C)CC(C)C1.
What is the InChIKey of 3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide?
The InChIKey is BCBIUWYTXYGUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-6-11(2)8-13(7-10)18-14-9-12(16(17)19)4-5-15(14)20-3/h4-5,9-11,13,18H,6-8H2,1-3H3,(H2,17,19).
What are the key properties of 3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide?
3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide has a molecular weight of 276.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide is sourced from PubChem (CID 64750811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).