4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride

C19H33ClN2O2 — CID 120587323

IUPAC4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
SMILESCCC(C)c1ccc(C(NC(=O)CC(CN)OC)C(C)C)cc1.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-6-14(4)15-7-9-16(10-8-15)19(13(2)3)21-18(22)11-17(12-20)23-5;/h7-10,13-14,17,19H,6,11-12,20H2,1-5H3,(H,21,22);1H
InChIKeyLFZXHBVAGPKEMF-UHFFFAOYSA-N
MW356.94 g/mol
LogP3.80
Rot. Bonds9

About 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120587323) has the molecular formula C19H33ClN2O2 and a molecular weight of 356.94 g/mol. Its IUPAC name is 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
PubChem CID120587323
Molecular FormulaC19H33ClN2O2
Molecular Weight356.94 g/mol
Exact Mass356.22
IUPAC Name4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
SMILESCCC(C)c1ccc(C(NC(=O)CC(CN)OC)C(C)C)cc1.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-6-14(4)15-7-9-16(10-8-15)19(13(2)3)21-18(22)11-17(12-20)23-5;/h7-10,13-14,17,19H,6,11-12,20H2,1-5H3,(H,21,22);1H
InChIKeyLFZXHBVAGPKEMF-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120587324
4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587327
2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272761
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
CID 103154546
4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587047
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119693493
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide
CID 103155921
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367
N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 51937630
methyl (2S,3S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-methylpentanoate
CID 120590169

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride (CID 120587323) is 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride is CCC(C)c1ccc(C(NC(=O)CC(CN)OC)C(C)C)cc1.Cl.
What is the InChIKey of 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is LFZXHBVAGPKEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2.ClH/c1-6-14(4)15-7-9-16(10-8-15)19(13(2)3)21-18(22)11-17(12-20)23-5;/h7-10,13-14,17,19H,6,11-12,20H2,1-5H3,(H,21,22);1H.
What are the key properties of 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120587323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).