4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride

C20H27ClN2O2 — CID 120593754

IUPAC4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(c1cccc(C)c1)c1cccc(C)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-14-6-4-8-16(10-14)20(17-9-5-7-15(2)11-17)22-19(23)12-18(13-21)24-3;/h4-11,18,20H,12-13,21H2,1-3H3,(H,22,23);1H
InChIKeyTWFFLSZVCUFMFT-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.29
Rot. Bonds7

About 4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120593754) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride
PubChem CID120593754
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(c1cccc(C)c1)c1cccc(C)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-14-6-4-8-16(10-14)20(17-9-5-7-15(2)11-17)22-19(23)12-18(13-21)24-3;/h4-11,18,20H,12-13,21H2,1-3H3,(H,22,23);1H
InChIKeyTWFFLSZVCUFMFT-UHFFFAOYSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-[(3-methylsulfonylphenyl)-phenylmethyl]butanamide;hydrochloride
CID 120592927
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587021
4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide
CID 120597413
4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide
CID 120591938
N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide
CID 103155311
4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671
4-amino-3-methoxy-N-[1-(3-methylphenyl)cyclopentyl]butanamide
CID 120591466
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593746
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride (CID 120593754) is 4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NC(c1cccc(C)c1)c1cccc(C)c1.Cl.
What is the InChIKey of 4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is TWFFLSZVCUFMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-14-6-4-8-16(10-14)20(17-9-5-7-15(2)11-17)22-19(23)12-18(13-21)24-3;/h4-11,18,20H,12-13,21H2,1-3H3,(H,22,23);1H.
What are the key properties of 4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120593754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).