4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide

C16H25NO2 — CID 115772047

IUPAC4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
SMILESCCCCc1ccc(C(=O)N(CC)CCCO)cc1
InChIInChI=1S/C16H25NO2/c1-3-5-7-14-8-10-15(11-9-14)16(19)17(4-2)12-6-13-18/h8-11,18H,3-7,12-13H2,1-2H3
InChIKeyRIYMMNGUODBHIN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds8

About 4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide

4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide (PubChem CID 115772047) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
PubChem CID115772047
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
SMILESCCCCc1ccc(C(=O)N(CC)CCCO)cc1
InChIInChI=1S/C16H25NO2/c1-3-5-7-14-8-10-15(11-9-14)16(19)17(4-2)12-6-13-18/h8-11,18H,3-7,12-13H2,1-2H3
InChIKeyRIYMMNGUODBHIN-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
4-butyl-N,N-diethylbenzamide
CID 60675001
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103915592
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642
4-[6-(dipropylamino)hexyl]-N,N-diethylbenzamide
CID 58300403
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide (CID 115772047) is 4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide is CCCCc1ccc(C(=O)N(CC)CCCO)cc1.
What is the InChIKey of 4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide?
The InChIKey is RIYMMNGUODBHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-5-7-14-8-10-15(11-9-14)16(19)17(4-2)12-6-13-18/h8-11,18H,3-7,12-13H2,1-2H3.
What are the key properties of 4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide?
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide has a molecular weight of 263.38 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 115772047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).