4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide

C17H28N2O — CID 63842319

IUPAC4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
SMILESCCC(CC)C(C)NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-14(5-2)13(3)19-17(20)12-11-16(18)15-9-7-6-8-10-15/h6-10,13-14,16H,4-5,11-12,18H2,1-3H3,(H,19,20)
InChIKeyVOXBCAUGFJJSRQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.41
Rot. Bonds8

About 4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide

4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide (PubChem CID 63842319) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
PubChem CID63842319
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
SMILESCCC(CC)C(C)NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-14(5-2)13(3)19-17(20)12-11-16(18)15-9-7-6-8-10-15/h6-10,13-14,16H,4-5,11-12,18H2,1-3H3,(H,19,20)
InChIKeyVOXBCAUGFJJSRQ-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide
CID 103810708
methyl 2-[(4-amino-4-phenylbutanoyl)amino]-3-methylbutanoate
CID 63324348
1-amino-5-methyl-1-phenylheptan-4-one
CID 116570769
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
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 63324335
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 114928414

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide (CID 63842319) is 4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide is CCC(CC)C(C)NC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide?
The InChIKey is VOXBCAUGFJJSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-14(5-2)13(3)19-17(20)12-11-16(18)15-9-7-6-8-10-15/h6-10,13-14,16H,4-5,11-12,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide?
4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide has a molecular weight of 276.42 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 63842319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).