3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide

C22H26N2O2 — CID 54790506

IUPAC3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
SMILESCCCCOc1cccc(C(=O)N(CCC#N)CCc2ccccc2)c1
InChIInChI=1S/C22H26N2O2/c1-2-3-17-26-21-12-7-11-20(18-21)22(25)24(15-8-14-23)16-13-19-9-5-4-6-10-19/h4-7,9-12,18H,2-3,8,13,15-17H2,1H3
InChIKeyLLOYGBPHIPCPFG-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.46
Rot. Bonds10

About 3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide

3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide (PubChem CID 54790506) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
PubChem CID54790506
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
SMILESCCCCOc1cccc(C(=O)N(CCC#N)CCc2ccccc2)c1
InChIInChI=1S/C22H26N2O2/c1-2-3-17-26-21-12-7-11-20(18-21)22(25)24(15-8-14-23)16-13-19-9-5-4-6-10-19/h4-7,9-12,18H,2-3,8,13,15-17H2,1H3
InChIKeyLLOYGBPHIPCPFG-UHFFFAOYSA-N
XLogP4.46
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide
CID 43911736
N-(3-amino-3-oxopropyl)-N-(2-phenylethyl)-3-propoxybenzamide
CID 54789581
N-benzyl-N-(2-cyanoethyl)-4-pentoxybenzamide
CID 43911706
N-benzyl-N-(2-cyanoethyl)-4-heptoxybenzamide
CID 43911723
N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 54790667
N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-(2-ethoxyethoxy)benzamide
CID 54790668
N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide
CID 43911798
N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide
CID 54790398
N,N-bis(2-cyanoethyl)-3-methoxybenzamide
CID 4626859
N-benzyl-3-butan-2-yloxy-N-(2-cyanoethyl)benzamide
CID 43911799
3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide
CID 26162531
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide (CID 54790506) is 3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide is CCCCOc1cccc(C(=O)N(CCC#N)CCc2ccccc2)c1.
What is the InChIKey of 3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide?
The InChIKey is LLOYGBPHIPCPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-3-17-26-21-12-7-11-20(18-21)22(25)24(15-8-14-23)16-13-19-9-5-4-6-10-19/h4-7,9-12,18H,2-3,8,13,15-17H2,1H3.
What are the key properties of 3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide?
3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide has a molecular weight of 350.46 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 54790506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).