2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride

C19H31ClN2O2 — CID 120669181

IUPAC2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride
SMILESCCCOC1(CNC(=O)C(N)c2ccc(C)cc2)CCCCC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-3-13-23-19(11-5-4-6-12-19)14-21-18(22)17(20)16-9-7-15(2)8-10-16;/h7-10,17H,3-6,11-14,20H2,1-2H3,(H,21,22);1H
InChIKeyYOOJVOLWFALTRT-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.66
Rot. Bonds7

About 2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride

2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride (PubChem CID 120669181) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride
PubChem CID120669181
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride
SMILESCCCOC1(CNC(=O)C(N)c2ccc(C)cc2)CCCCC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-3-13-23-19(11-5-4-6-12-19)14-21-18(22)17(20)16-9-7-15(2)8-10-16;/h7-10,17H,3-6,11-14,20H2,1-2H3,(H,21,22);1H
InChIKeyYOOJVOLWFALTRT-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666652
2-amino-N-[(2-methyloxolan-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668420
2-amino-N-[(1-methylcyclopropyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668819
(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
CID 119819509
ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
CID 120667027
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106312443
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668782
2-amino-2-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide;hydrochloride
CID 120667266
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106312973
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668147
2-amino-2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 120666753

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride (CID 120669181) is 2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride is CCCOC1(CNC(=O)C(N)c2ccc(C)cc2)CCCCC1.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride?
The InChIKey is YOOJVOLWFALTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-3-13-23-19(11-5-4-6-12-19)14-21-18(22)17(20)16-9-7-15(2)8-10-16;/h7-10,17H,3-6,11-14,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride?
2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120669181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).