N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide

C15H21NO3 — CID 102866633

IUPACN-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
SMILESO=C(c1ccc(CO)cc1)N(CCCO)C1CCC1
InChIInChI=1S/C15H21NO3/c17-10-2-9-16(14-3-1-4-14)15(19)13-7-5-12(11-18)6-8-13/h5-8,14,17-18H,1-4,9-11H2
InChIKeyDATFVPGIMVJUJL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.56
Rot. Bonds6

About N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide

N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide (PubChem CID 102866633) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
PubChem CID102866633
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
SMILESO=C(c1ccc(CO)cc1)N(CCCO)C1CCC1
InChIInChI=1S/C15H21NO3/c17-10-2-9-16(14-3-1-4-14)15(19)13-7-5-12(11-18)6-8-13/h5-8,14,17-18H,1-4,9-11H2
InChIKeyDATFVPGIMVJUJL-UHFFFAOYSA-N
XLogP1.56
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861173
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 102866076
4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide
CID 102851284
5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 102862780
4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861629
N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 102861861
4-amino-3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102858723
N-cyclobutyl-6-hydrazinyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 102870598
3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102862491

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide?
The IUPAC name of N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide (CID 102866633) is N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide is O=C(c1ccc(CO)cc1)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide?
The InChIKey is DATFVPGIMVJUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-10-2-9-16(14-3-1-4-14)15(19)13-7-5-12(11-18)6-8-13/h5-8,14,17-18H,1-4,9-11H2.
What are the key properties of N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide?
N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 102866633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).