2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide

C25H25N3O2 — CID 56513370

IUPAC2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CN(CCCO)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H25N3O2/c26-18-20-9-7-14-23(17-20)27-24(30)19-28(15-8-16-29)25(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-7,9-14,17,25,29H,8,15-16,19H2,(H,27,30)
InChIKeyWLVBLVIDIUKIRH-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.97
Rot. Bonds9

About 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide

2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide (PubChem CID 56513370) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide
PubChem CID56513370
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CN(CCCO)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H25N3O2/c26-18-20-9-7-14-23(17-20)27-24(30)19-28(15-8-16-29)25(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-7,9-14,17,25,29H,8,15-16,19H2,(H,27,30)
InChIKeyWLVBLVIDIUKIRH-UHFFFAOYSA-N
XLogP3.97
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide
CID 56514414
N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
CID 41047179
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
N-(3-ethynylphenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 110898647
N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide
CID 43824378
3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60839707
1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea
CID 43428235
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
[2-(3-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227987
2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
CID 99621516

Frequently Asked Questions

What is the IUPAC name of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide (CID 56513370) is 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CN(CCCO)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide?
The InChIKey is WLVBLVIDIUKIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c26-18-20-9-7-14-23(17-20)27-24(30)19-28(15-8-16-29)25(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-7,9-14,17,25,29H,8,15-16,19H2,(H,27,30).
What are the key properties of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide?
2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 56513370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).