ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide

C15H25NO2 — CID 176553147

IUPACethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
SMILESCC.CCCN(CCO)C(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2.C2H6/c1-3-8-14(9-10-15)13(16)12-6-4-11(2)5-7-12;1-2/h4-7,15H,3,8-10H2,1-2H3;1-2H3
InChIKeySTWGRUUSFGMJLQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.87
Rot. Bonds5

About ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide

ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide (PubChem CID 176553147) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide.

Molecular Properties

Compound Nameethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
PubChem CID176553147
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nameethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
SMILESCC.CCCN(CCO)C(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2.C2H6/c1-3-8-14(9-10-15)13(16)12-6-4-11(2)5-7-12;1-2/h4-7,15H,3,8-10H2,1-2H3;1-2H3
InChIKeySTWGRUUSFGMJLQ-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
CID 144812222
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
3-[2-hydroxyethyl-(4-methylbenzoyl)amino]propanoic acid
CID 82324694
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide
CID 60656648
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331
N-(2-hydroxyethyl)-3-methyl-4-nitro-N-propylbenzamide
CID 60656043
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide
CID 126438407
6-amino-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 62162096

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide?
The IUPAC name of ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide (CID 176553147) is ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide.
What is the SMILES notation for ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide?
The canonical SMILES for ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide is CC.CCCN(CCO)C(=O)c1ccc(C)cc1.
What is the InChIKey of ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide?
The InChIKey is STWGRUUSFGMJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.C2H6/c1-3-8-14(9-10-15)13(16)12-6-4-11(2)5-7-12;1-2/h4-7,15H,3,8-10H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide?
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide has a molecular weight of 251.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide is sourced from PubChem (CID 176553147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).