N,2-dimethyl-N-propylbenzamide;ethane

C16H29NO — CID 142246396

IUPACN,2-dimethyl-N-propylbenzamide;ethane
SMILESCC.CC.CCCN(C)C(=O)c1ccccc1C
InChIInChI=1S/C12H17NO.2C2H6/c1-4-9-13(3)12(14)11-8-6-5-7-10(11)2;2*1-2/h5-8H,4,9H2,1-3H3;2*1-2H3
InChIKeyWEBYXLPOHCINPU-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.53
Rot. Bonds3

About N,2-dimethyl-N-propylbenzamide;ethane

N,2-dimethyl-N-propylbenzamide;ethane (PubChem CID 142246396) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N,2-dimethyl-N-propylbenzamide;ethane.

Molecular Properties

Compound NameN,2-dimethyl-N-propylbenzamide;ethane
PubChem CID142246396
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN,2-dimethyl-N-propylbenzamide;ethane
SMILESCC.CC.CCCN(C)C(=O)c1ccccc1C
InChIInChI=1S/C12H17NO.2C2H6/c1-4-9-13(3)12(14)11-8-6-5-7-10(11)2;2*1-2/h5-8H,4,9H2,1-3H3;2*1-2H3
InChIKeyWEBYXLPOHCINPU-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-N-methyl-N-propylbenzamide
CID 43271541
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
N-(2-chloroethyl)-2-methyl-N-propylbenzamide
CID 63392900
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300
N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide
CID 151032584
2-methyl-N,N-dipentylbenzamide
CID 4576290
3-hydroxy-N-methyl-N-propylnaphthalene-2-carboxamide
CID 43624990
N-chloro-N,2-dimethylbenzamide
CID 166437996
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
N-iodo-N,2-dimethylbenzamide
CID 143099347
2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 78970596

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-propylbenzamide;ethane?
The IUPAC name of N,2-dimethyl-N-propylbenzamide;ethane (CID 142246396) is N,2-dimethyl-N-propylbenzamide;ethane.
What is the SMILES notation for N,2-dimethyl-N-propylbenzamide;ethane?
The canonical SMILES for N,2-dimethyl-N-propylbenzamide;ethane is CC.CC.CCCN(C)C(=O)c1ccccc1C.
What is the InChIKey of N,2-dimethyl-N-propylbenzamide;ethane?
The InChIKey is WEBYXLPOHCINPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.2C2H6/c1-4-9-13(3)12(14)11-8-6-5-7-10(11)2;2*1-2/h5-8H,4,9H2,1-3H3;2*1-2H3.
What are the key properties of N,2-dimethyl-N-propylbenzamide;ethane?
N,2-dimethyl-N-propylbenzamide;ethane has a molecular weight of 251.41 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-propylbenzamide;ethane is sourced from PubChem (CID 142246396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).