N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride

C19H31ClN2O2 — CID 119528546

IUPACN-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride
SMILESCCC(OC1CCCC(C)C1)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-3-18(23-16-11-7-8-14(2)12-16)19(22)21-13-17(20)15-9-5-4-6-10-15;/h4-6,9-10,14,16-18H,3,7-8,11-13,20H2,1-2H3,(H,21,22);1H
InChIKeyFFXIMSALOGDPGB-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.60
Rot. Bonds7

About N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride

N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride (PubChem CID 119528546) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride
PubChem CID119528546
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC NameN-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride
SMILESCCC(OC1CCCC(C)C1)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-3-18(23-16-11-7-8-14(2)12-16)19(22)21-13-17(20)15-9-5-4-6-10-15;/h4-6,9-10,14,16-18H,3,7-8,11-13,20H2,1-2H3,(H,21,22);1H
InChIKeyFFXIMSALOGDPGB-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide
CID 119528830
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide
CID 119525775
N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide
CID 129071865
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide
CID 71994764
4-[[2-(3-methylcyclohexyl)oxybutanoylamino]methyl]oxane-4-carboxylic acid
CID 120541972
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
N-(2-amino-2-phenylethyl)-2-(cyclopropylmethoxy)acetamide;hydrochloride
CID 119529587
N-(2-amino-2-phenylethyl)-2-methylcyclopentane-1-carboxamide
CID 107180698
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405
(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 97238760
(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide
CID 99847067

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride (CID 119528546) is N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride is CCC(OC1CCCC(C)C1)C(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride?
The InChIKey is FFXIMSALOGDPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-3-18(23-16-11-7-8-14(2)12-16)19(22)21-13-17(20)15-9-5-4-6-10-15;/h4-6,9-10,14,16-18H,3,7-8,11-13,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride is sourced from PubChem (CID 119528546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).