N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide

C19H28N2O3 — CID 75444735

IUPACN-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NCC2(C(C)CCO)CCC2)c1
InChIInChI=1S/C19H28N2O3/c1-3-17(23)21-16-7-4-6-15(12-16)18(24)20-13-19(9-5-10-19)14(2)8-11-22/h4,6-7,12,14,22H,3,5,8-11,13H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyFVWABMPMYJELSB-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.95
Rot. Bonds8

About N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide

N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide (PubChem CID 75444735) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide
PubChem CID75444735
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NCC2(C(C)CCO)CCC2)c1
InChIInChI=1S/C19H28N2O3/c1-3-17(23)21-16-7-4-6-15(12-16)18(24)20-13-19(9-5-10-19)14(2)8-11-22/h4,6-7,12,14,22H,3,5,8-11,13H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyFVWABMPMYJELSB-UHFFFAOYSA-N
XLogP2.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide
CID 109381094
3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 17309759
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
N-(3-acetylphenyl)propanamide
CID 903063
N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide
CID 17309747
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide?
The IUPAC name of N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide (CID 75444735) is N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide?
The canonical SMILES for N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)NCC2(C(C)CCO)CCC2)c1.
What is the InChIKey of N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide?
The InChIKey is FVWABMPMYJELSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-17(23)21-16-7-4-6-15(12-16)18(24)20-13-19(9-5-10-19)14(2)8-11-22/h4,6-7,12,14,22H,3,5,8-11,13H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide?
N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide has a molecular weight of 332.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide is sourced from PubChem (CID 75444735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).