ethane;4-methyl-N,N-dipropylbenzamide

C16H27NO — CID 143600655

IUPACethane;4-methyl-N,N-dipropylbenzamide
SMILESCC.CCCN(CCC)C(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO.C2H6/c1-4-10-15(11-5-2)14(16)13-8-6-12(3)7-9-13;1-2/h6-9H,4-5,10-11H2,1-3H3;1-2H3
InChIKeySMBHAYXRURWRFA-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.28
Rot. Bonds5

About ethane;4-methyl-N,N-dipropylbenzamide

ethane;4-methyl-N,N-dipropylbenzamide (PubChem CID 143600655) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is ethane;4-methyl-N,N-dipropylbenzamide.

Molecular Properties

Compound Nameethane;4-methyl-N,N-dipropylbenzamide
PubChem CID143600655
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Nameethane;4-methyl-N,N-dipropylbenzamide
SMILESCC.CCCN(CCC)C(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO.C2H6/c1-4-10-15(11-5-2)14(16)13-8-6-12(3)7-9-13;1-2/h6-9H,4-5,10-11H2,1-3H3;1-2H3
InChIKeySMBHAYXRURWRFA-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
CID 144812222
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
N-butyl-3,5-dimethyl-N-propylbenzamide;ethane
CID 142843546
4-amino-N-butyl-N-propylbenzamide
CID 127119640
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
CID 63973383
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
3-[2-hydroxyethyl-(4-methylbenzoyl)amino]propanoic acid
CID 82324694
3-methyl-4-nitro-N,N-dipropylbenzamide
CID 786985

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N,N-dipropylbenzamide?
The IUPAC name of ethane;4-methyl-N,N-dipropylbenzamide (CID 143600655) is ethane;4-methyl-N,N-dipropylbenzamide.
What is the SMILES notation for ethane;4-methyl-N,N-dipropylbenzamide?
The canonical SMILES for ethane;4-methyl-N,N-dipropylbenzamide is CC.CCCN(CCC)C(=O)c1ccc(C)cc1.
What is the InChIKey of ethane;4-methyl-N,N-dipropylbenzamide?
The InChIKey is SMBHAYXRURWRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C2H6/c1-4-10-15(11-5-2)14(16)13-8-6-12(3)7-9-13;1-2/h6-9H,4-5,10-11H2,1-3H3;1-2H3.
What are the key properties of ethane;4-methyl-N,N-dipropylbenzamide?
ethane;4-methyl-N,N-dipropylbenzamide has a molecular weight of 249.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N,N-dipropylbenzamide is sourced from PubChem (CID 143600655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).