N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide

C16H22N2O3 — CID 102858422

IUPACN-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide
SMILESO=C(CN(CCCO)C1CCC1)NC(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-11-5-10-18(14-8-4-9-14)12-15(20)17-16(21)13-6-2-1-3-7-13/h1-3,6-7,14,19H,4-5,8-12H2,(H,17,20,21)
InChIKeyRZNLHWPKCDHASN-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.18
Rot. Bonds7

About N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide

N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide (PubChem CID 102858422) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide.

Molecular Properties

Compound NameN-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide
PubChem CID102858422
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide
SMILESO=C(CN(CCCO)C1CCC1)NC(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-11-5-10-18(14-8-4-9-14)12-15(20)17-16(21)13-6-2-1-3-7-13/h1-3,6-7,14,19H,4-5,8-12H2,(H,17,20,21)
InChIKeyRZNLHWPKCDHASN-UHFFFAOYSA-N
XLogP1.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]-2-phenylacetamide
CID 102870028
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(4-fluorophenyl)acetamide
CID 102848391
4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one
CID 62034933
1-(4-chlorophenyl)-2-[cyclobutyl(3-hydroxypropyl)amino]ethanone
CID 102864346
N-[2-[butyl(2-hydroxyethyl)amino]acetyl]benzamide
CID 60689022
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 102848440
N-(benzylcarbamoyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60510233
N-(cyanomethyl)-2-[cyclobutyl(3-hydroxypropyl)amino]acetamide
CID 102848492
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide
CID 102848725
2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide
CID 111457011
N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide
CID 62020048
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 102848326

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide?
The IUPAC name of N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide (CID 102858422) is N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide.
What is the SMILES notation for N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide?
The canonical SMILES for N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide is O=C(CN(CCCO)C1CCC1)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide?
The InChIKey is RZNLHWPKCDHASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-11-5-10-18(14-8-4-9-14)12-15(20)17-16(21)13-6-2-1-3-7-13/h1-3,6-7,14,19H,4-5,8-12H2,(H,17,20,21).
What are the key properties of N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide?
N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclobutyl(3-hydroxypropyl)amino]acetyl]benzamide is sourced from PubChem (CID 102858422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).