2-[(3-methyl-1-phenylbutyl)amino]acetamide

C13H20N2O — CID 16774188

IUPAC2-[(3-methyl-1-phenylbutyl)amino]acetamide
SMILESCC(C)CC(NCC(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(2)8-12(15-9-13(14)16)11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H2,14,16)
InChIKeyWVPNWTGHZAOQLF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.85
Rot. Bonds6

About 2-[(3-methyl-1-phenylbutyl)amino]acetamide

2-[(3-methyl-1-phenylbutyl)amino]acetamide (PubChem CID 16774188) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(3-methyl-1-phenylbutyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-methyl-1-phenylbutyl)amino]acetamide
PubChem CID16774188
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(3-methyl-1-phenylbutyl)amino]acetamide
SMILESCC(C)CC(NCC(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(2)8-12(15-9-13(14)16)11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H2,14,16)
InChIKeyWVPNWTGHZAOQLF-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methyl-1-phenylbutyl)amino]acetic acid
CID 43135143
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide
CID 103729643
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904029
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide
CID 94404650
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 103729480
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
1,1-dimethyl-3-[2-[(3-methyl-1-phenylbutyl)amino]ethyl]urea
CID 83117113
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
3-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 43096327

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1-phenylbutyl)amino]acetamide?
The IUPAC name of 2-[(3-methyl-1-phenylbutyl)amino]acetamide (CID 16774188) is 2-[(3-methyl-1-phenylbutyl)amino]acetamide.
What is the SMILES notation for 2-[(3-methyl-1-phenylbutyl)amino]acetamide?
The canonical SMILES for 2-[(3-methyl-1-phenylbutyl)amino]acetamide is CC(C)CC(NCC(N)=O)c1ccccc1.
What is the InChIKey of 2-[(3-methyl-1-phenylbutyl)amino]acetamide?
The InChIKey is WVPNWTGHZAOQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)8-12(15-9-13(14)16)11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(3-methyl-1-phenylbutyl)amino]acetamide?
2-[(3-methyl-1-phenylbutyl)amino]acetamide has a molecular weight of 220.32 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1-phenylbutyl)amino]acetamide is sourced from PubChem (CID 16774188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).