N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide

C14H18N2O3 — CID 134013284

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N2O3/c1-4-15(10-11(2)3)14(17)9-12-5-7-13(8-6-12)16(18)19/h5-8H,2,4,9-10H2,1,3H3
InChIKeyUOLZISNFDFJHSZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.56
Rot. Bonds6

About N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide

N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide (PubChem CID 134013284) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide
PubChem CID134013284
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide
SMILESC=C(C)CN(CC)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N2O3/c1-4-15(10-11(2)3)14(17)9-12-5-7-13(8-6-12)16(18)19/h5-8H,2,4,9-10H2,1,3H3
InChIKeyUOLZISNFDFJHSZ-UHFFFAOYSA-N
XLogP2.56
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide
CID 35361318
2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 84584479
N-ethyl-N-(2-methylprop-2-enyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84603998
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylpropanoate
CID 55357340
2-[(2-amino-2-oxoethyl)-[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 107433905
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 35965277
N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide
CID 115775556
3-[ethyl-[2-(4-nitrophenyl)acetyl]amino]butanoic acid
CID 62821560
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate
CID 55311618
N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide
CID 62332693
potassium 2-(4-nitrophenyl)acetate
CID 15261201
2-[(4-methoxyphenyl)methyl-[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 174174199

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide (CID 134013284) is N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide is C=C(C)CN(CC)C(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is UOLZISNFDFJHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-15(10-11(2)3)14(17)9-12-5-7-13(8-6-12)16(18)19/h5-8H,2,4,9-10H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 134013284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).