2-amino-N-methyl-N-(4-phenylbutyl)acetamide

C13H20N2O — CID 60946836

IUPAC2-amino-N-methyl-N-(4-phenylbutyl)acetamide
SMILESCN(CCCCc1ccccc1)C(=O)CN
InChIInChI=1S/C13H20N2O/c1-15(13(16)11-14)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11,14H2,1H3
InChIKeyASKDIEKXMKCAIC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.43
Rot. Bonds6

About 2-amino-N-methyl-N-(4-phenylbutyl)acetamide

2-amino-N-methyl-N-(4-phenylbutyl)acetamide (PubChem CID 60946836) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(4-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(4-phenylbutyl)acetamide
PubChem CID60946836
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-N-methyl-N-(4-phenylbutyl)acetamide
SMILESCN(CCCCc1ccccc1)C(=O)CN
InChIInChI=1S/C13H20N2O/c1-15(13(16)11-14)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11,14H2,1H3
InChIKeyASKDIEKXMKCAIC-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.43
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-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 64678540
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216
N-(3-aminopropyl)-3-[benzyl(methyl)amino]-N-methylpropanamide
CID 43253618
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708
1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide
CID 65464465
2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride
CID 119298042
(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide
CID 79024406
N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958322
2,3-dimethyl-4-[methyl(4-phenylbutyl)amino]-4-oxobutanoic acid
CID 103497790
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(4-phenylbutyl)acetamide?
The IUPAC name of 2-amino-N-methyl-N-(4-phenylbutyl)acetamide (CID 60946836) is 2-amino-N-methyl-N-(4-phenylbutyl)acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-(4-phenylbutyl)acetamide?
The canonical SMILES for 2-amino-N-methyl-N-(4-phenylbutyl)acetamide is CN(CCCCc1ccccc1)C(=O)CN.
What is the InChIKey of 2-amino-N-methyl-N-(4-phenylbutyl)acetamide?
The InChIKey is ASKDIEKXMKCAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(13(16)11-14)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11,14H2,1H3.
What are the key properties of 2-amino-N-methyl-N-(4-phenylbutyl)acetamide?
2-amino-N-methyl-N-(4-phenylbutyl)acetamide has a molecular weight of 220.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(4-phenylbutyl)acetamide is sourced from PubChem (CID 60946836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).