3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide

C21H26N2O — CID 78830866

IUPAC3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide
SMILESC=C(C)CN(CC)CCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H26N2O/c1-4-23(16-17(2)3)15-14-21(24)22-20-13-9-8-12-19(20)18-10-6-5-7-11-18/h5-13H,2,4,14-16H2,1,3H3,(H,22,24)
InChIKeyQWENVFLKJAWROL-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.58
Rot. Bonds8

About 3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide

3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide (PubChem CID 78830866) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide
PubChem CID78830866
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide
SMILESC=C(C)CN(CC)CCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H26N2O/c1-4-23(16-17(2)3)15-14-21(24)22-20-13-9-8-12-19(20)18-10-6-5-7-11-18/h5-13H,2,4,14-16H2,1,3H3,(H,22,24)
InChIKeyQWENVFLKJAWROL-UHFFFAOYSA-N
XLogP4.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride
CID 90483718
2-[ethyl(2-hydroxyethyl)amino]-N-(2-phenylphenyl)acetamide
CID 31993666
3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide
CID 24588963
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[3-(diethylamino)propanoylamino]benzoic acid
CID 559444
2-(diethylamino)ethyl N-(2-phenylphenyl)carbamate
CID 24836570
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-[[3-(2-cyanoanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012302
3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide
CID 55482831
3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide
CID 56526498
2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 8718330
3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-methyl-4-nitrophenyl)propanamide
CID 86917891

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide?
The IUPAC name of 3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide (CID 78830866) is 3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide is C=C(C)CN(CC)CCC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide?
The InChIKey is QWENVFLKJAWROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-4-23(16-17(2)3)15-14-21(24)22-20-13-9-8-12-19(20)18-10-6-5-7-11-18/h5-13H,2,4,14-16H2,1,3H3,(H,22,24).
What are the key properties of 3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide?
3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide has a molecular weight of 322.45 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 78830866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).