N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide

C12H17NO — CID 159115326

IUPACN-[1-(3,4-dimethylphenyl)propan-2-yl]formamide
SMILESCc1ccc(CC(C)NC=O)cc1C
InChIInChI=1S/C12H17NO/c1-9-4-5-12(6-10(9)2)7-11(3)13-8-14/h4-6,8,11H,7H2,1-3H3,(H,13,14)
InChIKeyFJOVOQDUYAIMHR-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.98
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide

N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide (PubChem CID 159115326) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)propan-2-yl]formamide
PubChem CID159115326
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[1-(3,4-dimethylphenyl)propan-2-yl]formamide
SMILESCc1ccc(CC(C)NC=O)cc1C
InChIInChI=1S/C12H17NO/c1-9-4-5-12(6-10(9)2)7-11(3)13-8-14/h4-6,8,11H,7H2,1-3H3,(H,13,14)
InChIKeyFJOVOQDUYAIMHR-UHFFFAOYSA-N
XLogP1.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide
CID 171093295
3-(3,4-dimethylphenyl)-2-methylpropanal
CID 64665590
N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide
CID 125472845
3-(3,4-dimethylphenyl)-2-(methylamino)propanal
CID 168758829
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
N-[1-(3-bromo-4-methylphenyl)-3-methylbutan-2-yl]formamide;carbon dioxide
CID 160711401
4-(2-bromo-3-methylbutyl)-1,2-dimethylbenzene
CID 63542558
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
1-(3,4-dimethylphenyl)propan-2-amine;sulfuric acid
CID 23619205

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide (CID 159115326) is N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide is Cc1ccc(CC(C)NC=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide?
The InChIKey is FJOVOQDUYAIMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-5-12(6-10(9)2)7-11(3)13-8-14/h4-6,8,11H,7H2,1-3H3,(H,13,14).
What are the key properties of N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide?
N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide has a molecular weight of 191.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide is sourced from PubChem (CID 159115326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).