4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide

C19H23ClN2O2 — CID 119331157

IUPAC4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide
SMILESCOc1ccc(C(NC(=O)CCCN)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C19H23ClN2O2/c1-13-12-14(24-2)9-10-15(13)19(22-18(23)8-5-11-21)16-6-3-4-7-17(16)20/h3-4,6-7,9-10,12,19H,5,8,11,21H2,1-2H3,(H,22,23)
InChIKeyFCJHTMAHXHDIAI-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.60
Rot. Bonds7

About 4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide

4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide (PubChem CID 119331157) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide
PubChem CID119331157
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide
SMILESCOc1ccc(C(NC(=O)CCCN)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C19H23ClN2O2/c1-13-12-14(24-2)9-10-15(13)19(22-18(23)8-5-11-21)16-6-3-4-7-17(16)20/h3-4,6-7,9-10,12,19H,5,8,11,21H2,1-2H3,(H,22,23)
InChIKeyFCJHTMAHXHDIAI-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 ≤ 500346.86
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide
CID 119797021
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452
2-amino-N-[(2-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120991275
1-(2,5-dichlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482843
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
N-[(2S)-1-aminopropan-2-yl]-4-(4-chloro-3-methylphenoxy)butanamide
CID 120507285
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide
CID 119330269
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 86906510
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119801663
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119330268
2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43915739

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide (CID 119331157) is 4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide is COc1ccc(C(NC(=O)CCCN)c2ccccc2Cl)c(C)c1.
What is the InChIKey of 4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide?
The InChIKey is FCJHTMAHXHDIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13-12-14(24-2)9-10-15(13)19(22-18(23)8-5-11-21)16-6-3-4-7-17(16)20/h3-4,6-7,9-10,12,19H,5,8,11,21H2,1-2H3,(H,22,23).
What are the key properties of 4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide?
4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide has a molecular weight of 346.86 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 4-amino-N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 119331157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).