4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide

C16H26N2O2 — CID 63324041

IUPAC4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)N(CCCO)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-13(2)18(11-6-12-19)16(20)10-9-15(17)14-7-4-3-5-8-14/h3-5,7-8,13,15,19H,6,9-12,17H2,1-2H3
InChIKeyPMVPVGVNATXLEI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.09
Rot. Bonds8

About 4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide

4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide (PubChem CID 63324041) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide
PubChem CID63324041
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)N(CCCO)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-13(2)18(11-6-12-19)16(20)10-9-15(17)14-7-4-3-5-8-14/h3-5,7-8,13,15,19H,6,9-12,17H2,1-2H3
InChIKeyPMVPVGVNATXLEI-UHFFFAOYSA-N
XLogP2.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-amino-4-phenylbutanoyl)-ethylamino]butanoic acid
CID 63323741
N-[3-[3-hydroxypropyl(propan-2-yl)amino]-3-oxopropyl]benzamide
CID 61038662
N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 62366412
N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide
CID 54917384
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
3-amino-N-(2-methoxyethyl)-3-phenyl-N-propan-2-ylpropanamide
CID 82949172
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid
CID 63324134
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide
CID 106148257
2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
CID 61160864
4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one
CID 116570738
3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide (CID 63324041) is 4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide is CC(C)N(CCCO)C(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide?
The InChIKey is PMVPVGVNATXLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)18(11-6-12-19)16(20)10-9-15(17)14-7-4-3-5-8-14/h3-5,7-8,13,15,19H,6,9-12,17H2,1-2H3.
What are the key properties of 4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide?
4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxypropyl)-4-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 63324041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).