2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride

C17H26Cl2N2O2 — CID 120988365

IUPAC2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1.Cl
InChIInChI=1S/C17H25ClN2O2.ClH/c1-22-11-15(19)16(21)20-12-17(9-3-2-4-10-17)13-5-7-14(18)8-6-13;/h5-8,15H,2-4,9-12,19H2,1H3,(H,20,21);1H
InChIKeyZMQCPXDNDJAYHA-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.05
Rot. Bonds6

About 2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120988365) has the molecular formula C17H26Cl2N2O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120988365
Molecular FormulaC17H26Cl2N2O2
Molecular Weight361.31 g/mol
Exact Mass360.14
IUPAC Name2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1.Cl
InChIInChI=1S/C17H25ClN2O2.ClH/c1-22-11-15(19)16(21)20-12-17(9-3-2-4-10-17)13-5-7-14(18)8-6-13;/h5-8,15H,2-4,9-12,19H2,1H3,(H,20,21);1H
InChIKeyZMQCPXDNDJAYHA-UHFFFAOYSA-N
XLogP3.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
CID 118786770
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
CID 119772688
2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120993759
2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120987373
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
1-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317240
1-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315664
(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
CID 119321524
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
2-amino-N-[(1-ethylcyclopentyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120992658
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120989233
2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 119301083

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride (CID 120988365) is 2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1.Cl.
What is the InChIKey of 2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is ZMQCPXDNDJAYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2.ClH/c1-22-11-15(19)16(21)20-12-17(9-3-2-4-10-17)13-5-7-14(18)8-6-13;/h5-8,15H,2-4,9-12,19H2,1H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 361.31 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120988365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).