3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide

C27H31N3O3 — CID 56514414

IUPAC3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN(CCCO)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H31N3O3/c1-2-28-27(33)23-15-9-16-24(19-23)29-25(32)20-30(17-10-18-31)26(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-9,11-16,19,26,31H,2,10,17-18,20H2,1H3,(H,28,33)(H,29,32)
InChIKeyXXRJPCNWTMNBJV-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.85
Rot. Bonds11

About 3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide

3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide (PubChem CID 56514414) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide
PubChem CID56514414
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN(CCCO)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H31N3O3/c1-2-28-27(33)23-15-9-16-24(19-23)29-25(32)20-30(17-10-18-31)26(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-9,11-16,19,26,31H,2,10,17-18,20H2,1H3,(H,28,33)(H,29,32)
InChIKeyXXRJPCNWTMNBJV-UHFFFAOYSA-N
XLogP3.85
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide
CID 56513370
methyl 4-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]benzoate
CID 56513890
N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825883
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide
CID 56584158
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 9229993
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-acetamido-N-ethylbenzamide
CID 17230670
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
methyl 3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-4-methylbenzoate
CID 56513630
3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide
CID 33097961
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide (CID 56514414) is 3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CN(CCCO)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide?
The InChIKey is XXRJPCNWTMNBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-2-28-27(33)23-15-9-16-24(19-23)29-25(32)20-30(17-10-18-31)26(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-9,11-16,19,26,31H,2,10,17-18,20H2,1H3,(H,28,33)(H,29,32).
What are the key properties of 3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide?
3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide has a molecular weight of 445.56 g/mol, XLogP of 3.85, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 56514414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).