N,N-dimethyl-2-(3-methylanilino)propanamide

C12H18N2O — CID 43085843

IUPACN,N-dimethyl-2-(3-methylanilino)propanamide
SMILESCc1cccc(NC(C)C(=O)N(C)C)c1
InChIInChI=1S/C12H18N2O/c1-9-6-5-7-11(8-9)13-10(2)12(15)14(3)4/h5-8,10,13H,1-4H3
InChIKeyVVPDCYHACZDFFB-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.88
Rot. Bonds3

About N,N-dimethyl-2-(3-methylanilino)propanamide

N,N-dimethyl-2-(3-methylanilino)propanamide (PubChem CID 43085843) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylanilino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylanilino)propanamide
PubChem CID43085843
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN,N-dimethyl-2-(3-methylanilino)propanamide
SMILESCc1cccc(NC(C)C(=O)N(C)C)c1
InChIInChI=1S/C12H18N2O/c1-9-6-5-7-11(8-9)13-10(2)12(15)14(3)4/h5-8,10,13H,1-4H3
InChIKeyVVPDCYHACZDFFB-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
N-butyl-N-methyl-2-(3-methylanilino)propanamide
CID 112501604
2-(4-amino-3-methylanilino)-N,N-dimethylpropanamide
CID 61464522
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
2-(4-methoxy-3-methylanilino)-N,N-dimethylpropanamide
CID 54964418
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 51925493
(2R)-2-(3-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 39415589
2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide
CID 114001769
(2R,3R)-3-(3-methylanilino)butan-2-ol
CID 25072640
2-(2,6-difluoroanilino)-N,N-dimethylpropanamide
CID 43088763

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methylanilino)propanamide?
The IUPAC name of N,N-dimethyl-2-(3-methylanilino)propanamide (CID 43085843) is N,N-dimethyl-2-(3-methylanilino)propanamide.
What is the SMILES notation for N,N-dimethyl-2-(3-methylanilino)propanamide?
The canonical SMILES for N,N-dimethyl-2-(3-methylanilino)propanamide is Cc1cccc(NC(C)C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-(3-methylanilino)propanamide?
The InChIKey is VVPDCYHACZDFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-6-5-7-11(8-9)13-10(2)12(15)14(3)4/h5-8,10,13H,1-4H3.
What are the key properties of N,N-dimethyl-2-(3-methylanilino)propanamide?
N,N-dimethyl-2-(3-methylanilino)propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylanilino)propanamide is sourced from PubChem (CID 43085843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).