N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide

C16H26N2O — CID 106356684

IUPACN-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
SMILESCC(C)C(CCN)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-12(2)14(10-11-17)18-15(19)16(3,4)13-8-6-5-7-9-13/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19)
InChIKeyGTTRUELMNISAJX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds6

About N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide

N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide (PubChem CID 106356684) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
PubChem CID106356684
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
SMILESCC(C)C(CCN)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-12(2)14(10-11-17)18-15(19)16(3,4)13-8-6-5-7-9-13/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19)
InChIKeyGTTRUELMNISAJX-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106355073
N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
CID 107859920
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106356781
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894
N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
CID 113485062
methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate
CID 171833084
N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide
CID 106356833
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylpropanamide
CID 46420935
N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide
CID 64539763
3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
CID 81076781
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide (CID 106356684) is N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide is CC(C)C(CCN)NC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide?
The InChIKey is GTTRUELMNISAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)14(10-11-17)18-15(19)16(3,4)13-8-6-5-7-9-13/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide?
N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 106356684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).