N,3-dimethyl-N-propan-2-ylbenzamide

C12H17NO — CID 91322011

IUPACN,3-dimethyl-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)C)c1
InChIInChI=1S/C12H17NO/c1-9(2)13(4)12(14)11-7-5-6-10(3)8-11/h5-9H,1-4H3
InChIKeyMQCPARZORLTKCM-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.48
Rot. Bonds2

About N,3-dimethyl-N-propan-2-ylbenzamide

N,3-dimethyl-N-propan-2-ylbenzamide (PubChem CID 91322011) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N,3-dimethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN,3-dimethyl-N-propan-2-ylbenzamide
PubChem CID91322011
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN,3-dimethyl-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)C)c1
InChIInChI=1S/C12H17NO/c1-9(2)13(4)12(14)11-7-5-6-10(3)8-11/h5-9H,1-4H3
InChIKeyMQCPARZORLTKCM-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
CID 82507196
(E)-3-[3-[methyl(propan-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 94231066
N-(2-chloropropyl)-N,3-dimethylbenzamide
CID 63393760
3-methyl-N,N-bis(trideuteriomethyl)benzamide
CID 167709287
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67773038
4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide
CID 59238546
N-(benzenesulfonyl)-N,3-dimethylbenzamide
CID 47276844
bis(3-methylphenyl)methanone
CID 17848
3-methylbenzamide;2-methylpropane
CID 160767336
2-methyl-3-(N-(3-methylbenzoyl)anilino)propanoic acid
CID 82321596
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
3-(4-hydroxybut-1-ynyl)-N-methyl-N-propan-2-ylbenzamide
CID 54922026

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propan-2-ylbenzamide?
The IUPAC name of N,3-dimethyl-N-propan-2-ylbenzamide (CID 91322011) is N,3-dimethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N,3-dimethyl-N-propan-2-ylbenzamide?
The canonical SMILES for N,3-dimethyl-N-propan-2-ylbenzamide is Cc1cccc(C(=O)N(C)C(C)C)c1.
What is the InChIKey of N,3-dimethyl-N-propan-2-ylbenzamide?
The InChIKey is MQCPARZORLTKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)13(4)12(14)11-7-5-6-10(3)8-11/h5-9H,1-4H3.
What are the key properties of N,3-dimethyl-N-propan-2-ylbenzamide?
N,3-dimethyl-N-propan-2-ylbenzamide has a molecular weight of 191.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 91322011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).