2-anilino-N,N-dimethylbutanamide

C12H18N2O — CID 137320686

IUPAC2-anilino-N,N-dimethylbutanamide
SMILESCCC(Nc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C12H18N2O/c1-4-11(12(15)14(2)3)13-10-8-6-5-7-9-10/h5-9,11,13H,4H2,1-3H3
InChIKeyWBPVLYDFWDPXFT-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.97
Rot. Bonds4

About 2-anilino-N,N-dimethylbutanamide

2-anilino-N,N-dimethylbutanamide (PubChem CID 137320686) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-anilino-N,N-dimethylbutanamide.

Molecular Properties

Compound Name2-anilino-N,N-dimethylbutanamide
PubChem CID137320686
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-anilino-N,N-dimethylbutanamide
SMILESCCC(Nc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C12H18N2O/c1-4-11(12(15)14(2)3)13-10-8-6-5-7-9-10/h5-9,11,13H,4H2,1-3H3
InChIKeyWBPVLYDFWDPXFT-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-anilinobutanoyl(methyl)amino]-2-methylpropanoic acid
CID 166239589
methyl (2R)-2-anilinobutanoate
CID 51891380
2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide
CID 123306109
(2S)-2-anilinopentanoic acid
CID 22847649
(2R)-2-anilino-N-[(2R)-2-hydroxy-2-phenylethyl]butanamide
CID 94824467
(2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide
CID 172564197
(2R)-2-anilino-3-hydroxypropanoic acid
CID 68662369
2-[3-[(dimethylamino)methyl]anilino]butanoic acid
CID 113292403
methyl 2-anilinopentanoate
CID 60992581
2-anilino-3-[4-(2-bromocyclooctyl)phenyl]-N,N-dimethylpropanamide
CID 91549190
N-[1-(dimethylamino)-1-oxobutan-2-yl]-3-methyl-2-(methylamino)-3-phenylbutanamide
CID 175143257
2-anilino-3-sulfanylpropanoic acid
CID 87519071

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N,N-dimethylbutanamide?
The IUPAC name of 2-anilino-N,N-dimethylbutanamide (CID 137320686) is 2-anilino-N,N-dimethylbutanamide.
What is the SMILES notation for 2-anilino-N,N-dimethylbutanamide?
The canonical SMILES for 2-anilino-N,N-dimethylbutanamide is CCC(Nc1ccccc1)C(=O)N(C)C.
What is the InChIKey of 2-anilino-N,N-dimethylbutanamide?
The InChIKey is WBPVLYDFWDPXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-11(12(15)14(2)3)13-10-8-6-5-7-9-10/h5-9,11,13H,4H2,1-3H3.
What are the key properties of 2-anilino-N,N-dimethylbutanamide?
2-anilino-N,N-dimethylbutanamide has a molecular weight of 206.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N,N-dimethylbutanamide is sourced from PubChem (CID 137320686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).