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

C20H24N2O3 — CID 111122030

IUPACN-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(CCO)CCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-2-19(24)21-18-10-6-9-17(15-18)20(25)22(13-14-23)12-11-16-7-4-3-5-8-16/h3-10,15,23H,2,11-14H2,1H3,(H,21,24)
InChIKeyUZFTVIXDKVYVFZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.71
Rot. Bonds8

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

N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide (PubChem CID 111122030) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide
PubChem CID111122030
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(CCO)CCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-2-19(24)21-18-10-6-9-17(15-18)20(25)22(13-14-23)12-11-16-7-4-3-5-8-16/h3-10,15,23H,2,11-14H2,1H3,(H,21,24)
InChIKeyUZFTVIXDKVYVFZ-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide
CID 46988992
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815120
N-butyl-N-phenyl-3-(propanoylamino)benzamide
CID 17309767
3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757164
3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943575
methyl 3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]benzoate
CID 113164089
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
N-(3-acetylphenyl)propanamide
CID 903063
3-benzamido-N,N-dibutylbenzamide
CID 4270775
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide (CID 111122030) is N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)N(CCO)CCc2ccccc2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide?
The InChIKey is UZFTVIXDKVYVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-19(24)21-18-10-6-9-17(15-18)20(25)22(13-14-23)12-11-16-7-4-3-5-8-16/h3-10,15,23H,2,11-14H2,1H3,(H,21,24).
What are the key properties of N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide?
N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 111122030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).