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

C19H32N2O2 — CID 120587324

IUPAC4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide
SMILESCCC(C)c1ccc(C(NC(=O)CC(CN)OC)C(C)C)cc1
InChIInChI=1S/C19H32N2O2/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)
InChIKeySGFXMSXSYYEOCC-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.38
Rot. Bonds9

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

4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide (PubChem CID 120587324) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide
PubChem CID120587324
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide
SMILESCCC(C)c1ccc(C(NC(=O)CC(CN)OC)C(C)C)cc1
InChIInChI=1S/C19H32N2O2/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)
InChIKeySGFXMSXSYYEOCC-UHFFFAOYSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.38
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;hydrochloride
CID 120587323
4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587327
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
CID 103154546
2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272761
4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587047
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
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]butanamide;hydrochloride
CID 119693493
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
4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide (CID 120587324) is 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide is CCC(C)c1ccc(C(NC(=O)CC(CN)OC)C(C)C)cc1.
What is the InChIKey of 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide?
The InChIKey is SGFXMSXSYYEOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/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).
What are the key properties of 4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide?
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide has a molecular weight of 320.48 g/mol, XLogP of 3.38, 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 is sourced from PubChem (CID 120587324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).