4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide

C16H26N2O2 — CID 103810708

IUPAC4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide
SMILESCC(C)C(CCO)NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)15(10-11-19)18-16(20)9-8-14(17)13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11,17H2,1-2H3,(H,18,20)
InChIKeyCHDUYWSQSPQAQW-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.99
Rot. Bonds8

About 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide

4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide (PubChem CID 103810708) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide
PubChem CID103810708
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide
SMILESCC(C)C(CCO)NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)15(10-11-19)18-16(20)9-8-14(17)13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11,17H2,1-2H3,(H,18,20)
InChIKeyCHDUYWSQSPQAQW-UHFFFAOYSA-N
XLogP1.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide
CID 63324351
methyl 2-[(4-amino-4-phenylbutanoyl)amino]-3-methylbutanoate
CID 63324348
4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 63842319
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 103750843
3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103750763
4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide
CID 63324031
N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide
CID 103751084
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 63324335
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide (CID 103810708) is 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide is CC(C)C(CCO)NC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide?
The InChIKey is CHDUYWSQSPQAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)15(10-11-19)18-16(20)9-8-14(17)13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide?
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide is sourced from PubChem (CID 103810708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).