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

C18H31NO — CID 142843546

IUPACN-butyl-3,5-dimethyl-N-propylbenzamide;ethane
SMILESCC.CCCCN(CCC)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H25NO.C2H6/c1-5-7-9-17(8-6-2)16(18)15-11-13(3)10-14(4)12-15;1-2/h10-12H,5-9H2,1-4H3;1-2H3
InChIKeyPSKPWXUWFYDRGJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.98
Rot. Bonds6

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

N-butyl-3,5-dimethyl-N-propylbenzamide;ethane (PubChem CID 142843546) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-butyl-3,5-dimethyl-N-propylbenzamide;ethane.

Molecular Properties

Compound NameN-butyl-3,5-dimethyl-N-propylbenzamide;ethane
PubChem CID142843546
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-butyl-3,5-dimethyl-N-propylbenzamide;ethane
SMILESCC.CCCCN(CCC)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H25NO.C2H6/c1-5-7-9-17(8-6-2)16(18)15-11-13(3)10-14(4)12-15;1-2/h10-12H,5-9H2,1-4H3;1-2H3
InChIKeyPSKPWXUWFYDRGJ-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547
4-amino-N-butyl-N-propylbenzamide
CID 127119640
3-bromo-N-ethyl-5-methyl-N-propylbenzamide
CID 104851893
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
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
3,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 107974886
3-[butyl(methyl)carbamoyl]-5-methylbenzoic acid
CID 68655036

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,5-dimethyl-N-propylbenzamide;ethane?
The IUPAC name of N-butyl-3,5-dimethyl-N-propylbenzamide;ethane (CID 142843546) is N-butyl-3,5-dimethyl-N-propylbenzamide;ethane.
What is the SMILES notation for N-butyl-3,5-dimethyl-N-propylbenzamide;ethane?
The canonical SMILES for N-butyl-3,5-dimethyl-N-propylbenzamide;ethane is CC.CCCCN(CCC)C(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-butyl-3,5-dimethyl-N-propylbenzamide;ethane?
The InChIKey is PSKPWXUWFYDRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.C2H6/c1-5-7-9-17(8-6-2)16(18)15-11-13(3)10-14(4)12-15;1-2/h10-12H,5-9H2,1-4H3;1-2H3.
What are the key properties of N-butyl-3,5-dimethyl-N-propylbenzamide;ethane?
N-butyl-3,5-dimethyl-N-propylbenzamide;ethane has a molecular weight of 277.45 g/mol, XLogP of 4.98, 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;ethane is sourced from PubChem (CID 142843546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).