3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide

C18H20N2O3 — CID 111536692

IUPAC3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-2-11-19-17(22)14-9-6-10-15(12-14)20-18(23)16(21)13-7-4-3-5-8-13/h3-10,12,16,21H,2,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyBMZSBNYXRDJHTG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.50
Rot. Bonds6

About 3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide

3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide (PubChem CID 111536692) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide
PubChem CID111536692
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-2-11-19-17(22)14-9-6-10-15(12-14)20-18(23)16(21)13-7-4-3-5-8-13/h3-10,12,16,21H,2,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyBMZSBNYXRDJHTG-UHFFFAOYSA-N
XLogP2.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-[(2-hydroxy-2-phenylacetyl)amino]benzamide
CID 111432146
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
CID 43700232
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-propylbenzamide
CID 79011822
N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide
CID 95904798
3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide
CID 106111461
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide
CID 104907128
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
CID 110895294
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide?
The IUPAC name of 3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide (CID 111536692) is 3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide.
What is the SMILES notation for 3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide?
The canonical SMILES for 3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)C(O)c2ccccc2)c1.
What is the InChIKey of 3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide?
The InChIKey is BMZSBNYXRDJHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-11-19-17(22)14-9-6-10-15(12-14)20-18(23)16(21)13-7-4-3-5-8-13/h3-10,12,16,21H,2,11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide?
3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide is sourced from PubChem (CID 111536692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).