N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide

C16H26N2O — CID 106164437

IUPACN-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide
SMILESCCC(C(=O)NC(C)(CC)CCN)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-14(13-9-7-6-8-10-13)15(19)18-16(3,5-2)11-12-17/h6-10,14H,4-5,11-12,17H2,1-3H3,(H,18,19)
InChIKeyJTPDYFBRARTJIH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.81
Rot. Bonds7

About N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide

N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide (PubChem CID 106164437) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide
PubChem CID106164437
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide
SMILESCCC(C(=O)NC(C)(CC)CCN)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-14(13-9-7-6-8-10-13)15(19)18-16(3,5-2)11-12-17/h6-10,14H,4-5,11-12,17H2,1-3H3,(H,18,19)
InChIKeyJTPDYFBRARTJIH-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide
CID 114314563
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide
CID 115309768
4-methoxy-3-methyl-3-(2-phenylbutanoylamino)butanoic acid
CID 120606645
2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 62878367
(2-phenylbutanoylamino)urea
CID 63946462
(2S)-N-ethoxy-2-phenylbutanamide
CID 94018307
2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide
CID 62877842
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide
CID 103772501
N-(1-amino-3-methylpentan-3-yl)-1-phenylcyclopropane-1-carboxamide
CID 106164789
N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide
CID 106356833
(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide
CID 106330934

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide (CID 106164437) is N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide is CCC(C(=O)NC(C)(CC)CCN)c1ccccc1.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide?
The InChIKey is JTPDYFBRARTJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-14(13-9-7-6-8-10-13)15(19)18-16(3,5-2)11-12-17/h6-10,14H,4-5,11-12,17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide?
N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide is sourced from PubChem (CID 106164437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).