3-amino-N,N-dimethyl-4-phenylbutanamide

C12H18N2O — CID 70115085

IUPAC3-amino-N,N-dimethyl-4-phenylbutanamide
SMILESCN(C)C(=O)CC(N)Cc1ccccc1
InChIInChI=1S/C12H18N2O/c1-14(2)12(15)9-11(13)8-10-6-4-3-5-7-10/h3-7,11H,8-9,13H2,1-2H3
InChIKeyFXCUOLRUEHYGAY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.03
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-phenylbutanamide

3-amino-N,N-dimethyl-4-phenylbutanamide (PubChem CID 70115085) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-phenylbutanamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-phenylbutanamide
PubChem CID70115085
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-N,N-dimethyl-4-phenylbutanamide
SMILESCN(C)C(=O)CC(N)Cc1ccccc1
InChIInChI=1S/C12H18N2O/c1-14(2)12(15)9-11(13)8-10-6-4-3-5-7-10/h3-7,11H,8-9,13H2,1-2H3
InChIKeyFXCUOLRUEHYGAY-UHFFFAOYSA-N
XLogP1.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid
CID 150832768
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate
CID 118351614
butyl 3-amino-4-phenylbutanoate
CID 147090513
5-amino-6-phenylhexan-2-one
CID 90094782
2-hydroxy-N,N-dimethyl-3-phenylpropanamide
CID 18771503
N,N,3-trimethyl-5-oxo-5-phenylpentanamide
CID 12640870
(3R)-3-benzyl-4-(dimethylamino)-4-oxobutanoic acid
CID 139971976
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
methyl (3S,4S)-4-amino-3-hydroxy-5-phenylpentanoate
CID 14453007
2-amino-3-phenylpropanoic acid;ethane
CID 91596942

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-phenylbutanamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-phenylbutanamide (CID 70115085) is 3-amino-N,N-dimethyl-4-phenylbutanamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-phenylbutanamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-phenylbutanamide is CN(C)C(=O)CC(N)Cc1ccccc1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-phenylbutanamide?
The InChIKey is FXCUOLRUEHYGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14(2)12(15)9-11(13)8-10-6-4-3-5-7-10/h3-7,11H,8-9,13H2,1-2H3.
What are the key properties of 3-amino-N,N-dimethyl-4-phenylbutanamide?
3-amino-N,N-dimethyl-4-phenylbutanamide has a molecular weight of 206.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-phenylbutanamide is sourced from PubChem (CID 70115085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).