(Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide

C20H21N3O4 — CID 43911521

IUPAC(Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide
SMILESCCC(NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(C)=O)c1ccccc1
InChIInChI=1S/C20H21N3O4/c1-3-18(16-9-5-4-6-10-16)22-20(25)19(21-14(2)24)13-15-8-7-11-17(12-15)23(26)27/h4-13,18H,3H2,1-2H3,(H,21,24)(H,22,25)/b19-13-
InChIKeyGKEYTZHNGMAVQJ-UYRXBGFRSA-N
MW367.41 g/mol
LogP3.34
Rot. Bonds7

About (Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide

(Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide (PubChem CID 43911521) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide
PubChem CID43911521
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name(Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide
SMILESCCC(NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(C)=O)c1ccccc1
InChIInChI=1S/C20H21N3O4/c1-3-18(16-9-5-4-6-10-16)22-20(25)19(21-14(2)24)13-15-8-7-11-17(12-15)23(26)27/h4-13,18H,3H2,1-2H3,(H,21,24)(H,22,25)/b19-13-
InChIKeyGKEYTZHNGMAVQJ-UYRXBGFRSA-N
XLogP3.34
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 4926221
2-acetamido-3-(3-nitrophenyl)-N-propan-2-ylprop-2-enamide
CID 4205408
(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-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide
CID 6232689
2-acetamido-N-heptyl-3-(3-nitrophenyl)prop-2-enamide
CID 4926247
(2R)-2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoate
CID 7241531
2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926261
(E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide
CID 17328320
2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926208
2-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid
CID 21158706
2-acetamido-N-(3,5-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926207

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide (CID 43911521) is (Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide is CCC(NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(C)=O)c1ccccc1.
What is the InChIKey of (Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide?
The InChIKey is GKEYTZHNGMAVQJ-UYRXBGFRSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-18(16-9-5-4-6-10-16)22-20(25)19(21-14(2)24)13-15-8-7-11-17(12-15)23(26)27/h4-13,18H,3H2,1-2H3,(H,21,24)(H,22,25)/b19-13-.
What are the key properties of (Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide?
(Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide has a molecular weight of 367.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-(3-nitrophenyl)-N-(1-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 43911521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).