N,N-dimethyl-2-(methylamino)-3-phenylbutanamide

C13H20N2O — CID 16748884

IUPACN,N-dimethyl-2-(methylamino)-3-phenylbutanamide
SMILESCNC(C(=O)N(C)C)C(C)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(11-8-6-5-7-9-11)12(14-2)13(16)15(3)4/h5-10,12,14H,1-4H3
InChIKeyHINGBDLFCTWQOQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.47
Rot. Bonds4

About N,N-dimethyl-2-(methylamino)-3-phenylbutanamide

N,N-dimethyl-2-(methylamino)-3-phenylbutanamide (PubChem CID 16748884) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N,N-dimethyl-2-(methylamino)-3-phenylbutanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(methylamino)-3-phenylbutanamide
PubChem CID16748884
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN,N-dimethyl-2-(methylamino)-3-phenylbutanamide
SMILESCNC(C(=O)N(C)C)C(C)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(11-8-6-5-7-9-11)12(14-2)13(16)15(3)4/h5-10,12,14H,1-4H3
InChIKeyHINGBDLFCTWQOQ-UHFFFAOYSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide
CID 172564197
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
(1S,2R)-1-(methylamino)-2-phenylpropan-1-ol
CID 173329938
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
CID 163858053
(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863
2-hydrazinyl-3-phenylbutanoic acid
CID 55280832
(2S)-2-[[(2S)-2-hydroxypropanoyl]amino]-3-phenylbutanoic acid
CID 176961834
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
(2S,3R,4S)-2,3,4-trihydroxy-N,N-dimethyl-4-phenylbutanamide
CID 134855963

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(methylamino)-3-phenylbutanamide?
The IUPAC name of N,N-dimethyl-2-(methylamino)-3-phenylbutanamide (CID 16748884) is N,N-dimethyl-2-(methylamino)-3-phenylbutanamide.
What is the SMILES notation for N,N-dimethyl-2-(methylamino)-3-phenylbutanamide?
The canonical SMILES for N,N-dimethyl-2-(methylamino)-3-phenylbutanamide is CNC(C(=O)N(C)C)C(C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-(methylamino)-3-phenylbutanamide?
The InChIKey is HINGBDLFCTWQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(11-8-6-5-7-9-11)12(14-2)13(16)15(3)4/h5-10,12,14H,1-4H3.
What are the key properties of N,N-dimethyl-2-(methylamino)-3-phenylbutanamide?
N,N-dimethyl-2-(methylamino)-3-phenylbutanamide has a molecular weight of 220.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(methylamino)-3-phenylbutanamide is sourced from PubChem (CID 16748884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).