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

C15H24N2O — CID 61154408

IUPAC(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
SMILESCC(C)[C@H](N)C(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(2)14(16)15(18)17(3)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,7,10-11,16H2,1-3H3/t14-/m0/s1
InChIKeyMVQXZJYMSXSMED-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.06
Rot. Bonds6

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

(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide (PubChem CID 61154408) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
PubChem CID61154408
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
SMILESCC(C)[C@H](N)C(=O)N(C)CCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(2)14(16)15(18)17(3)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,7,10-11,16H2,1-3H3/t14-/m0/s1
InChIKeyMVQXZJYMSXSMED-AWEZNQCLSA-N
XLogP2.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 43588760
(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 79012795
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
CID 61172289
2,3-dimethyl-4-[methyl(3-phenylpropyl)amino]-4-oxobutanoic acid
CID 103496592
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide
CID 79024406
2,3-dimethyl-4-[methyl(4-phenylbutyl)amino]-4-oxobutanoic acid
CID 103497790
benzyl N-[(2S)-3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]carbamate
CID 154334566
2-[2-[(2-amino-3-methylbutanoyl)-methylamino]ethyl]benzoic acid
CID 104548293
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
benzyl N-[(2R)-1-[methyl(3-phenylpropyl)amino]-1-oxopropan-2-yl]carbamate
CID 10360786
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide?
The IUPAC name of (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide (CID 61154408) is (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide?
The canonical SMILES for (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide is CC(C)[C@H](N)C(=O)N(C)CCCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide?
The InChIKey is MVQXZJYMSXSMED-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)14(16)15(18)17(3)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,7,10-11,16H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide?
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.06, 6 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)butanamide is sourced from PubChem (CID 61154408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).