(3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide

C16H24N2O2 — CID 70054915

IUPAC(3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide
SMILESCCC(=O)N(CCc1ccccc1)C(=O)C[C@H](N)CC
InChIInChI=1S/C16H24N2O2/c1-3-14(17)12-16(20)18(15(19)4-2)11-10-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12,17H2,1-2H3/t14-/m1/s1
InChIKeyNQHBVLJEAKLDAZ-CQSZACIVSA-N
MW276.38 g/mol
LogP2.12
Rot. Bonds7

About (3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide

(3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide (PubChem CID 70054915) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide
PubChem CID70054915
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide
SMILESCCC(=O)N(CCc1ccccc1)C(=O)C[C@H](N)CC
InChIInChI=1S/C16H24N2O2/c1-3-14(17)12-16(20)18(15(19)4-2)11-10-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12,17H2,1-2H3/t14-/m1/s1
InChIKeyNQHBVLJEAKLDAZ-CQSZACIVSA-N
XLogP2.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(2-phenylethyl)-N-propanoylcarbamate
CID 71095623
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
benzyl (3S)-3-aminopentanoate
CID 89472657
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
3-amino-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 60947587
3-amino-N,N-dimethyl-4-phenylbutanamide
CID 70115085
ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
CID 20621418
N-phenyl-N-(3-phenylpropyl)propanamide
CID 178077722
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
3-amino-N-benzyl-N-propanoylpropanamide
CID 155456873
1-hydroxy-1-(2-phenylethyl)urea
CID 10241398
2-[2-methylbutanoyl(2-phenylethyl)amino]acetic acid
CID 119347264

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide?
The IUPAC name of (3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide (CID 70054915) is (3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide.
What is the SMILES notation for (3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide?
The canonical SMILES for (3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide is CCC(=O)N(CCc1ccccc1)C(=O)C[C@H](N)CC.
What is the InChIKey of (3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide?
The InChIKey is NQHBVLJEAKLDAZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-14(17)12-16(20)18(15(19)4-2)11-10-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12,17H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide?
(3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide has a molecular weight of 276.38 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-(2-phenylethyl)-N-propanoylpentanamide is sourced from PubChem (CID 70054915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).