(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide

C16H26N2O — CID 61172289

IUPAC(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-13(2)15(17)16(19)18(3)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,11-12,17H2,1-3H3/t13?,15-/m0/s1
InChIKeyYZZSLSYHJSPBEO-WUJWULDRSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds7

About (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide

(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide (PubChem CID 61172289) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
PubChem CID61172289
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-13(2)15(17)16(19)18(3)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,11-12,17H2,1-3H3/t13?,15-/m0/s1
InChIKeyYZZSLSYHJSPBEO-WUJWULDRSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 61154408
2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 43588760
(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide
CID 79024406
(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 79012795
2,3-dimethyl-4-[methyl(3-phenylpropyl)amino]-4-oxobutanoic acid
CID 103496592
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
benzyl N-[(2R)-1-[methyl(3-phenylpropyl)amino]-1-oxopropan-2-yl]carbamate
CID 10360786
2,3-dimethyl-4-[methyl(4-phenylbutyl)amino]-4-oxobutanoic acid
CID 103497790
2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide?
The IUPAC name of (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide (CID 61172289) is (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide is CCC(C)[C@H](N)C(=O)N(C)CCCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide?
The InChIKey is YZZSLSYHJSPBEO-WUJWULDRSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-13(2)15(17)16(19)18(3)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,11-12,17H2,1-3H3/t13?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide?
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide has a molecular weight of 262.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide is sourced from PubChem (CID 61172289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).