N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide

C18H28N2O2 — CID 119474760

IUPACN-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccccc1CC(C)CC(=O)NC1CCC(N)CC1
InChIInChI=1S/C18H28N2O2/c1-13(11-14-5-3-4-6-17(14)22-2)12-18(21)20-16-9-7-15(19)8-10-16/h3-6,13,15-16H,7-12,19H2,1-2H3,(H,20,21)
InChIKeyUKDRDYZFHXSYJQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.65
Rot. Bonds6

About N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide

N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide (PubChem CID 119474760) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide
PubChem CID119474760
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccccc1CC(C)CC(=O)NC1CCC(N)CC1
InChIInChI=1S/C18H28N2O2/c1-13(11-14-5-3-4-6-17(14)22-2)12-18(21)20-16-9-7-15(19)8-10-16/h3-6,13,15-16H,7-12,19H2,1-2H3,(H,20,21)
InChIKeyUKDRDYZFHXSYJQ-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119474759
4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449852
[2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate
CID 86899049
N-cyclopropyl-2-[1-(2-methoxyphenyl)propan-2-ylamino]acetamide
CID 43777963
N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide
CID 120504695
(3R)-1-[(3R)-3-aminopyrrolidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
CID 124686287
N-(4-aminocyclohexyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119476462
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
CID 119621899
N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride
CID 119475413
N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119565114

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide (CID 119474760) is N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide is COc1ccccc1CC(C)CC(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide?
The InChIKey is UKDRDYZFHXSYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(11-14-5-3-4-6-17(14)22-2)12-18(21)20-16-9-7-15(19)8-10-16/h3-6,13,15-16H,7-12,19H2,1-2H3,(H,20,21).
What are the key properties of N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide?
N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide has a molecular weight of 304.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 119474760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).