N,4-diethyl-N-(3-hydroxypropyl)benzamide

C14H21NO2 — CID 115771638

IUPACN,4-diethyl-N-(3-hydroxypropyl)benzamide
SMILESCCc1ccc(C(=O)N(CC)CCCO)cc1
InChIInChI=1S/C14H21NO2/c1-3-12-6-8-13(9-7-12)14(17)15(4-2)10-5-11-16/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyFBNRQHKXGMJSHT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.09
Rot. Bonds6

About N,4-diethyl-N-(3-hydroxypropyl)benzamide

N,4-diethyl-N-(3-hydroxypropyl)benzamide (PubChem CID 115771638) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N,4-diethyl-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound NameN,4-diethyl-N-(3-hydroxypropyl)benzamide
PubChem CID115771638
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN,4-diethyl-N-(3-hydroxypropyl)benzamide
SMILESCCc1ccc(C(=O)N(CC)CCCO)cc1
InChIInChI=1S/C14H21NO2/c1-3-12-6-8-13(9-7-12)14(17)15(4-2)10-5-11-16/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyFBNRQHKXGMJSHT-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
4-ethyl-N,N-dihexylbenzamide
CID 533235
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
N-butyl-N-decyl-4-ethylbenzamide
CID 91714679
N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 115771226
4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627
4-bromo-N-ethyl-3-fluoro-N-(3-hydroxypropyl)benzamide
CID 115772086
3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113339415
N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide
CID 118760660
N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
CID 107689617
4-butyl-N,N-diethylbenzamide
CID 60675001
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-(3-hydroxypropyl)benzamide?
The IUPAC name of N,4-diethyl-N-(3-hydroxypropyl)benzamide (CID 115771638) is N,4-diethyl-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for N,4-diethyl-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for N,4-diethyl-N-(3-hydroxypropyl)benzamide is CCc1ccc(C(=O)N(CC)CCCO)cc1.
What is the InChIKey of N,4-diethyl-N-(3-hydroxypropyl)benzamide?
The InChIKey is FBNRQHKXGMJSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-12-6-8-13(9-7-12)14(17)15(4-2)10-5-11-16/h6-9,16H,3-5,10-11H2,1-2H3.
What are the key properties of N,4-diethyl-N-(3-hydroxypropyl)benzamide?
N,4-diethyl-N-(3-hydroxypropyl)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 115771638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).