N-butyl-3,5-dimethyl-N-propylbenzamide

C16H25NO — CID 142843547

IUPACN-butyl-3,5-dimethyl-N-propylbenzamide
SMILESCCCCN(CCC)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H25NO/c1-5-7-9-17(8-6-2)16(18)15-11-13(3)10-14(4)12-15/h10-12H,5-9H2,1-4H3
InChIKeyASTNHUWPOMETNT-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.96
Rot. Bonds6

About N-butyl-3,5-dimethyl-N-propylbenzamide

N-butyl-3,5-dimethyl-N-propylbenzamide (PubChem CID 142843547) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-butyl-3,5-dimethyl-N-propylbenzamide.

Molecular Properties

Compound NameN-butyl-3,5-dimethyl-N-propylbenzamide
PubChem CID142843547
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-butyl-3,5-dimethyl-N-propylbenzamide
SMILESCCCCN(CCC)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H25NO/c1-5-7-9-17(8-6-2)16(18)15-11-13(3)10-14(4)12-15/h10-12H,5-9H2,1-4H3
InChIKeyASTNHUWPOMETNT-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-3,5-dimethyl-N-propylbenzamide;ethane
CID 142843546
4-amino-N-butyl-N-propylbenzamide
CID 127119640
3-bromo-N-ethyl-5-methyl-N-propylbenzamide
CID 104851893
3-chloro-N-(2-chloroethyl)-5-methyl-N-propylbenzamide
CID 81324581
N,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520
N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
3-methyl-N,N-di(undecyl)benzamide
CID 533252
3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779630
2-[(3-bromo-5-methylbenzoyl)-propylamino]acetic acid
CID 104850711
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
3-[butyl(methyl)carbamoyl]-5-methylbenzoic acid
CID 68655036
N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612127

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,5-dimethyl-N-propylbenzamide?
The IUPAC name of N-butyl-3,5-dimethyl-N-propylbenzamide (CID 142843547) is N-butyl-3,5-dimethyl-N-propylbenzamide.
What is the SMILES notation for N-butyl-3,5-dimethyl-N-propylbenzamide?
The canonical SMILES for N-butyl-3,5-dimethyl-N-propylbenzamide is CCCCN(CCC)C(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-butyl-3,5-dimethyl-N-propylbenzamide?
The InChIKey is ASTNHUWPOMETNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-7-9-17(8-6-2)16(18)15-11-13(3)10-14(4)12-15/h10-12H,5-9H2,1-4H3.
What are the key properties of N-butyl-3,5-dimethyl-N-propylbenzamide?
N-butyl-3,5-dimethyl-N-propylbenzamide has a molecular weight of 247.38 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,5-dimethyl-N-propylbenzamide is sourced from PubChem (CID 142843547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).