N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide

C11H12N2O3 — CID 70500560

IUPACN-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C11H12N2O3/c1-4-11(14)12-9-5-8(3)10(13(15)16)6-7(9)2/h4-6H,1H2,2-3H3,(H,12,14)
InChIKeyFAECKDLAYYVHOZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.34
Rot. Bonds3

About N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide

N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide (PubChem CID 70500560) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide
PubChem CID70500560
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C11H12N2O3/c1-4-11(14)12-9-5-8(3)10(13(15)16)6-7(9)2/h4-6H,1H2,2-3H3,(H,12,14)
InChIKeyFAECKDLAYYVHOZ-UHFFFAOYSA-N
XLogP2.34
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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-methyl-4-nitrophenyl)prop-2-enamide
CID 43699406
1-(2,4-dimethyl-5-nitrophenyl)-3-prop-2-enylurea
CID 75508665
(2S)-2-amino-N-(2,5-dimethyl-4-nitrophenyl)-3-methylbutanamide
CID 103145485
4-(4,5-dimethyl-2-nitroanilino)-4-oxobut-2-enoate
CID 7218076
(2S)-2-[(2,5-dimethyl-4-nitrophenyl)carbamoylamino]propanoic acid
CID 103145571
3-chloro-N-(2,5-dimethyl-4-nitrophenyl)-2-methylpropanamide
CID 103145250
4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide
CID 103145399
N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide
CID 103145312
1-cyano-N-(2,5-dimethyl-4-nitrophenyl)cyclopropane-1-carboxamide
CID 103145506
(E)-4-(5-chloro-2-methyl-4-nitroanilino)-4-oxobut-2-enoic acid
CID 104667808
2-(azetidin-3-ylidene)-N-(2,5-dimethyl-4-nitrophenyl)propanamide
CID 103145331
4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide
CID 103145443

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide (CID 70500560) is N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide is C=CC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C.
What is the InChIKey of N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide?
The InChIKey is FAECKDLAYYVHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-4-11(14)12-9-5-8(3)10(13(15)16)6-7(9)2/h4-6H,1H2,2-3H3,(H,12,14).
What are the key properties of N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide?
N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide has a molecular weight of 220.23 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 70500560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).