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

C18H28N2O — CID 86908385

IUPAC2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide
SMILESC=C(C)CN(CC)C(C)C(=O)NCC(C)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-6-20(13-14(2)3)16(5)18(21)19-12-15(4)17-10-8-7-9-11-17/h7-11,15-16H,2,6,12-13H2,1,3-5H3,(H,19,21)
InChIKeyFORCVZJOLAKBBZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.19
Rot. Bonds8

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

2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide (PubChem CID 86908385) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide
PubChem CID86908385
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide
SMILESC=C(C)CN(CC)C(C)C(=O)NCC(C)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-6-20(13-14(2)3)16(5)18(21)19-12-15(4)17-10-8-7-9-11-17/h7-11,15-16H,2,6,12-13H2,1,3-5H3,(H,19,21)
InChIKeyFORCVZJOLAKBBZ-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.19
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

1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea
CID 97028200
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
(2R)-2-(dimethylamino)-2-phenyl-N-[(2R)-2-phenylpropyl]acetamide
CID 99645937
(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
CID 119270188
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide
CID 61148338
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
CID 175348879
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-2-sulfanylbutanamide
CID 107020130
3-[ethyl(2-phenylpropylcarbamoyl)amino]butanoic acid
CID 104592016
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide?
The IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide (CID 86908385) is 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide is C=C(C)CN(CC)C(C)C(=O)NCC(C)c1ccccc1.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide?
The InChIKey is FORCVZJOLAKBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-20(13-14(2)3)16(5)18(21)19-12-15(4)17-10-8-7-9-11-17/h7-11,15-16H,2,6,12-13H2,1,3-5H3,(H,19,21).
What are the key properties of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide?
2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide is sourced from PubChem (CID 86908385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).