3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide

C19H20N2O5 — CID 67441963

IUPAC3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)Nc2ccccc2[N+](=O)[O-])c1OC(C)C
InChIInChI=1S/C19H20N2O5/c1-13(2)26-19-14(7-6-10-17(19)25-3)11-12-18(22)20-15-8-4-5-9-16(15)21(23)24/h4-13H,1-3H3,(H,20,22)
InChIKeyGINJHLFQEAUGTC-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.04
Rot. Bonds7

About 3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide

3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide (PubChem CID 67441963) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide
PubChem CID67441963
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)Nc2ccccc2[N+](=O)[O-])c1OC(C)C
InChIInChI=1S/C19H20N2O5/c1-13(2)26-19-14(7-6-10-17(19)25-3)11-12-18(22)20-15-8-4-5-9-16(15)21(23)24/h4-13H,1-3H3,(H,20,22)
InChIKeyGINJHLFQEAUGTC-UHFFFAOYSA-N
XLogP4.04
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 17395073
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(2,3-dimethylphenyl)prop-2-enamide
CID 9191666
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 51057586
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
(E)-3-(2,3-dimethoxyphenyl)-N-(2-phenylphenyl)prop-2-enamide
CID 2431859
(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 26881562
(E)-3-(3,4-dimethoxy-5-nitrophenyl)-N-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359904
N-(2-methoxy-4-nitrophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2793351
(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide
CID 17342602
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 16568447
(E)-N-(3-acetamido-4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 33307679
2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide
CID 38112763

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of 3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide (CID 67441963) is 3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for 3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide is COc1cccc(C=CC(=O)Nc2ccccc2[N+](=O)[O-])c1OC(C)C.
What is the InChIKey of 3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide?
The InChIKey is GINJHLFQEAUGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13(2)26-19-14(7-6-10-17(19)25-3)11-12-18(22)20-15-8-4-5-9-16(15)21(23)24/h4-13H,1-3H3,(H,20,22).
What are the key properties of 3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide?
3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide has a molecular weight of 356.38 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 67441963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).