4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide

C14H22N2O2 — CID 83176722

IUPAC4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
SMILESCC(CCO)NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(9-10-17)16-14(18)8-7-13(15)12-5-3-2-4-6-12/h2-6,11,13,17H,7-10,15H2,1H3,(H,16,18)
InChIKeyQCJBJUSOUJVCIW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.35
Rot. Bonds7

About 4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide

4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide (PubChem CID 83176722) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
PubChem CID83176722
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
SMILESCC(CCO)NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(9-10-17)16-14(18)8-7-13(15)12-5-3-2-4-6-12/h2-6,11,13,17H,7-10,15H2,1H3,(H,16,18)
InChIKeyQCJBJUSOUJVCIW-UHFFFAOYSA-N
XLogP1.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide
CID 103810708
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 63842319
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773
methyl 2-[(4-amino-4-phenylbutanoyl)amino]-3-methylbutanoate
CID 63324348
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide
CID 63324031
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide
CID 63324351
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
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-(4-hydroxybutan-2-yl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide (CID 83176722) is 4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide is CC(CCO)NC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide?
The InChIKey is QCJBJUSOUJVCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(9-10-17)16-14(18)8-7-13(15)12-5-3-2-4-6-12/h2-6,11,13,17H,7-10,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide?
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 83176722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).