N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide

C25H24N2O2 — CID 54790711

IUPACN-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide
SMILESN#CCCN(CCc1ccccc1)C(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H24N2O2/c26-17-9-18-27(19-16-21-10-3-1-4-11-21)25(28)23-14-7-8-15-24(23)29-20-22-12-5-2-6-13-22/h1-8,10-15H,9,16,18-20H2
InChIKeyATCAAAQQYSACHW-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.86
Rot. Bonds9

About N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide

N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide (PubChem CID 54790711) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide
PubChem CID54790711
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide
SMILESN#CCCN(CCc1ccccc1)C(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H24N2O2/c26-17-9-18-27(19-16-21-10-3-1-4-11-21)25(28)23-14-7-8-15-24(23)29-20-22-12-5-2-6-13-22/h1-8,10-15H,9,16,18-20H2
InChIKeyATCAAAQQYSACHW-UHFFFAOYSA-N
XLogP4.86
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790334
N,N-bis(2-cyanoethyl)-2-ethoxybenzamide
CID 2207652
N-(2-cyanoethyl)-2-nitro-N-(2-phenylethyl)benzamide
CID 54790308
N-benzyl-N-(2-cyanoethyl)-2-(3-methylbutoxy)benzamide
CID 43911713
N-(2-cyanoethyl)-2-(2-methoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 54790706
N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide
CID 78796248
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide
CID 43911737
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54790525
5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide
CID 8813101
2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 521802
2-[(4-fluorophenyl)methoxy]-N,N-dipropylbenzamide
CID 13073631

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide (CID 54790711) is N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide is N#CCCN(CCc1ccccc1)C(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide?
The InChIKey is ATCAAAQQYSACHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c26-17-9-18-27(19-16-21-10-3-1-4-11-21)25(28)23-14-7-8-15-24(23)29-20-22-12-5-2-6-13-22/h1-8,10-15H,9,16,18-20H2.
What are the key properties of N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide?
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide has a molecular weight of 384.48 g/mol, XLogP of 4.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide is sourced from PubChem (CID 54790711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).