N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide

C19H22N2O3 — CID 46988992

IUPACN-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-2-18(23)20-17-10-6-9-16(13-17)19(24)21(11-12-22)14-15-7-4-3-5-8-15/h3-10,13,22H,2,11-12,14H2,1H3,(H,20,23)
InChIKeyDUPCWYIXMJEYCJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.67
Rot. Bonds7

About N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide

N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide (PubChem CID 46988992) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide
PubChem CID46988992
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-2-18(23)20-17-10-6-9-16(13-17)19(24)21(11-12-22)14-15-7-4-3-5-8-15/h3-10,13,22H,2,11-12,14H2,1H3,(H,20,23)
InChIKeyDUPCWYIXMJEYCJ-UHFFFAOYSA-N
XLogP2.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide
CID 111122030
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-[3-(dibenzylcarbamothioylamino)phenyl]propanamide
CID 17382537
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
N-benzyl-N-[[2-(dimethylamino)-5-(propanoylamino)phenyl]methyl]-3-fluorobenzamide
CID 42816290
N-butyl-N-phenyl-3-(propanoylamino)benzamide
CID 17309767
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide
CID 55874316
N-benzyl-3,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 103955560
N-(3-acetylphenyl)propanamide
CID 903063
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815120

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide (CID 46988992) is N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)N(CCO)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide?
The InChIKey is DUPCWYIXMJEYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-18(23)20-17-10-6-9-16(13-17)19(24)21(11-12-22)14-15-7-4-3-5-8-15/h3-10,13,22H,2,11-12,14H2,1H3,(H,20,23).
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide?
N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 46988992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).