(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide

C15H24N2O — CID 79024406

IUPAC(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide
SMILESCC[C@H](N)C(=O)N(C)CCCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-14(16)15(18)17(2)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10,14H,3,7-8,11-12,16H2,1-2H3/t14-/m0/s1
InChIKeyAHHKJVUVYMPLAB-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.20
Rot. Bonds7

About (2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide

(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide (PubChem CID 79024406) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide
PubChem CID79024406
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide
SMILESCC[C@H](N)C(=O)N(C)CCCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-14(16)15(18)17(2)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10,14H,3,7-8,11-12,16H2,1-2H3/t14-/m0/s1
InChIKeyAHHKJVUVYMPLAB-AWEZNQCLSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
CID 61172289
2,3-dimethyl-4-[methyl(4-phenylbutyl)amino]-4-oxobutanoic acid
CID 103497790
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 61154408
2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 43588760
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
6-[(2-amino-3-phenylpropanoyl)-methylamino]hexanoic acid
CID 70550691
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
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-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide
CID 104984632
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide (CID 79024406) is (2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide is CC[C@H](N)C(=O)N(C)CCCCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide?
The InChIKey is AHHKJVUVYMPLAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-14(16)15(18)17(2)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10,14H,3,7-8,11-12,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide?
(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.20, 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-methyl-N-(4-phenylbutyl)butanamide is sourced from PubChem (CID 79024406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).