N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide

C24H22N2O2 — CID 43911798

IUPACN-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide
SMILESN#CCCN(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H22N2O2/c25-15-8-16-26(18-20-9-3-1-4-10-20)24(27)22-13-7-14-23(17-22)28-19-21-11-5-2-6-12-21/h1-7,9-14,17H,8,16,18-19H2
InChIKeyWXNICNXVPDPAMG-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.82
Rot. Bonds8

About N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide

N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide (PubChem CID 43911798) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide
PubChem CID43911798
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide
SMILESN#CCCN(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H22N2O2/c25-15-8-16-26(18-20-9-3-1-4-10-20)24(27)22-13-7-14-23(17-22)28-19-21-11-5-2-6-12-21/h1-7,9-14,17H,8,16,18-19H2
InChIKeyWXNICNXVPDPAMG-UHFFFAOYSA-N
XLogP4.82
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide
CID 43911736
N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide
CID 43911737
N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide
CID 78796248
N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide
CID 43911799
3-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 66913001
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790506
ethyl 3-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 66912964
N-benzyl-N-(2-cyanoethyl)-4-(2-methylpropoxy)benzamide
CID 43911709
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
N-benzyl-3-bromo-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911773
N-benzyl-N-(2-cyanoethyl)-4-pentoxybenzamide
CID 43911706

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide?
The IUPAC name of N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide (CID 43911798) is N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide.
What is the SMILES notation for N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide?
The canonical SMILES for N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide is N#CCCN(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide?
The InChIKey is WXNICNXVPDPAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c25-15-8-16-26(18-20-9-3-1-4-10-20)24(27)22-13-7-14-23(17-22)28-19-21-11-5-2-6-12-21/h1-7,9-14,17H,8,16,18-19H2.
What are the key properties of N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide?
N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide is sourced from PubChem (CID 43911798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).