N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide

C16H26N2O — CID 106356833

IUPACN-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide
SMILESCCC(C(=O)NC(CCN)C(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-14(13-8-6-5-7-9-13)16(19)18-15(10-11-17)12(2)3/h5-9,12,14-15H,4,10-11,17H2,1-3H3,(H,18,19)
InChIKeyBYGTVPHUOUMJSC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.67
Rot. Bonds7

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

N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide (PubChem CID 106356833) 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-phenylbutanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide
PubChem CID106356833
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide
SMILESCCC(C(=O)NC(CCN)C(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-14(13-8-6-5-7-9-13)16(19)18-15(10-11-17)12(2)3/h5-9,12,14-15H,4,10-11,17H2,1-3H3,(H,18,19)
InChIKeyBYGTVPHUOUMJSC-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide (CID 106356833) is N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide is CCC(C(=O)NC(CCN)C(C)C)c1ccccc1.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide?
The InChIKey is BYGTVPHUOUMJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-14(13-8-6-5-7-9-13)16(19)18-15(10-11-17)12(2)3/h5-9,12,14-15H,4,10-11,17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide?
N-(1-amino-4-methylpentan-3-yl)-2-phenylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.67, 7 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-phenylbutanamide is sourced from PubChem (CID 106356833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).