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

C18H29ClN2O2 — CID 119474759

IUPACN-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
SMILESCOc1ccccc1CC(C)CC(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/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);1H
InChIKeyZLUCBLNSZRKDQV-UHFFFAOYSA-N
MW340.89 g/mol
LogP3.07
Rot. Bonds6

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

N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride (PubChem CID 119474759) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
PubChem CID119474759
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC NameN-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
SMILESCOc1ccccc1CC(C)CC(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/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);1H
InChIKeyZLUCBLNSZRKDQV-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide
CID 119474760
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)-3-(2-methylphenyl)butanamide;hydrochloride
CID 119475413
N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119565114
N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119477343
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

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride (CID 119474759) is N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride is COc1ccccc1CC(C)CC(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride?
The InChIKey is ZLUCBLNSZRKDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/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);1H.
What are the key properties of N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride?
N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 3.07, 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;hydrochloride is sourced from PubChem (CID 119474759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).