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

C19H33ClN2O2 — CID 120587327

IUPAC4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
SMILESCCCCc1ccc(C(NC(=O)CC(CN)OC)C(C)C)cc1.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-5-6-7-15-8-10-16(11-9-15)19(14(2)3)21-18(22)12-17(13-20)23-4;/h8-11,14,17,19H,5-7,12-13,20H2,1-4H3,(H,21,22);1H
InChIKeyZKZJQIVJJCFFAO-UHFFFAOYSA-N
MW356.94 g/mol
LogP3.63
Rot. Bonds10

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

4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120587327) has the molecular formula C19H33ClN2O2 and a molecular weight of 356.94 g/mol. Its IUPAC name is 4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
PubChem CID120587327
Molecular FormulaC19H33ClN2O2
Molecular Weight356.94 g/mol
Exact Mass356.22
IUPAC Name4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
SMILESCCCCc1ccc(C(NC(=O)CC(CN)OC)C(C)C)cc1.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-5-6-7-15-8-10-16(11-9-15)19(14(2)3)21-18(22)12-17(13-20)23-4;/h8-11,14,17,19H,5-7,12-13,20H2,1-4H3,(H,21,22);1H
InChIKeyZKZJQIVJJCFFAO-UHFFFAOYSA-N
XLogP3.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272781
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587323
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120587324
4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590154
1-butyl-4-(1-methoxyethyl)benzene
CID 143934734
methyl N-[(2S)-2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]propanoyl]carbamate
CID 8998518
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55543313
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119693493
(2R)-2-amino-N-[2-methyl-1-(4-propylphenyl)propyl]propanamide
CID 119273049
2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272761

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride (CID 120587327) is 4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride is CCCCc1ccc(C(NC(=O)CC(CN)OC)C(C)C)cc1.Cl.
What is the InChIKey of 4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is ZKZJQIVJJCFFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2.ClH/c1-5-6-7-15-8-10-16(11-9-15)19(14(2)3)21-18(22)12-17(13-20)23-4;/h8-11,14,17,19H,5-7,12-13,20H2,1-4H3,(H,21,22);1H.
What are the key properties of 4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 3.63, 10 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-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120587327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).