2-amino-N-butyl-N-methyl-4-phenylbutanamide

C15H24N2O — CID 114924840

IUPAC2-amino-N-butyl-N-methyl-4-phenylbutanamide
SMILESCCCCN(C)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-4-12-17(2)15(18)14(16)11-10-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12,16H2,1-2H3
InChIKeyPXACRJAFADWMBL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.20
Rot. Bonds7

About 2-amino-N-butyl-N-methyl-4-phenylbutanamide

2-amino-N-butyl-N-methyl-4-phenylbutanamide (PubChem CID 114924840) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-N-butyl-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-butyl-N-methyl-4-phenylbutanamide
PubChem CID114924840
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-amino-N-butyl-N-methyl-4-phenylbutanamide
SMILESCCCCN(C)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-4-12-17(2)15(18)14(16)11-10-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12,16H2,1-2H3
InChIKeyPXACRJAFADWMBL-UHFFFAOYSA-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

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Related Compounds

(2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide
CID 104984632
(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide
CID 79024406
2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide
CID 114926657
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
CID 104983873
2-[(2-amino-4-phenylbutanoyl)-propylamino]acetic acid
CID 114927997
2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide
CID 114925251
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide
CID 104984250
2-amino-N-butyl-N-methylheptanamide;hydrochloride
CID 140973823
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 61154408

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-methyl-4-phenylbutanamide?
The IUPAC name of 2-amino-N-butyl-N-methyl-4-phenylbutanamide (CID 114924840) is 2-amino-N-butyl-N-methyl-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-butyl-N-methyl-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-butyl-N-methyl-4-phenylbutanamide is CCCCN(C)C(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-butyl-N-methyl-4-phenylbutanamide?
The InChIKey is PXACRJAFADWMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-12-17(2)15(18)14(16)11-10-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12,16H2,1-2H3.
What are the key properties of 2-amino-N-butyl-N-methyl-4-phenylbutanamide?
2-amino-N-butyl-N-methyl-4-phenylbutanamide 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 2-amino-N-butyl-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 114924840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).