(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide

C20H20N4O5 — CID 54777092

IUPAC(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C20H20N4O5/c1-12-7-8-16(11-18(12)21-13(2)25)23-20(27)19(22-14(3)26)10-15-5-4-6-17(9-15)24(28)29/h4-11H,1-3H3,(H,21,25)(H,22,26)(H,23,27)/b19-10-
InChIKeyNEKWQEYVBNWAIA-GRSHGNNSSA-N
MW396.40 g/mol
LogP2.98
Rot. Bonds6

About (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide

(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 54777092) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID54777092
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C20H20N4O5/c1-12-7-8-16(11-18(12)21-13(2)25)23-20(27)19(22-14(3)26)10-15-5-4-6-17(9-15)24(28)29/h4-11H,1-3H3,(H,21,25)(H,22,26)(H,23,27)/b19-10-
InChIKeyNEKWQEYVBNWAIA-GRSHGNNSSA-N
XLogP2.98
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.98
H-Bond Donors ≤ 53
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

(Z)-2-acetamido-N-[4-methyl-3-(propanoylamino)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 46761048
2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926208
(Z)-2-acetamido-N-(2,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17285822
2-acetamido-N-(3,5-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926207
(E)-2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 6232705
2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 4926309
(Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17285820
2-acetamido-3-(3-nitrophenyl)-N-propan-2-ylprop-2-enamide
CID 4205408
2-acetamido-N-[4-(3-methylbutoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 4949906
(E)-2-acetamido-N-[4-(3-methylbutoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 6235214
(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 54777104
2-methyl-N-[(E)-3-(naphthalen-2-ylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 35596904

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 54777092) is (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide is CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)c(NC(C)=O)c1.
What is the InChIKey of (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is NEKWQEYVBNWAIA-GRSHGNNSSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-12-7-8-16(11-18(12)21-13(2)25)23-20(27)19(22-14(3)26)10-15-5-4-6-17(9-15)24(28)29/h4-11H,1-3H3,(H,21,25)(H,22,26)(H,23,27)/b19-10-.
What are the key properties of (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 396.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 54777092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).