2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide

C14H15N3O5 — CID 4628427

IUPAC2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O5/c1-3-7-15(8-4-2)14(18)9-11-5-6-12(16(19)20)10-13(11)17(21)22/h3-6,10H,1-2,7-9H2
InChIKeyFGPGXWFUEAVHED-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.25
Rot. Bonds8

About 2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide

2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 4628427) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide
PubChem CID4628427
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O5/c1-3-7-15(8-4-2)14(18)9-11-5-6-12(16(19)20)10-13(11)17(21)22/h3-6,10H,1-2,7-9H2
InChIKeyFGPGXWFUEAVHED-UHFFFAOYSA-N
XLogP2.25
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-(4-nitrophenyl)-3-oxo-N,N-bis(prop-2-enyl)propanamide
CID 102359684
N-(2-hydroxyethyl)-2-(4-nitrophenyl)-N-prop-2-enylacetamide
CID 115775556
3-(2,4-dinitrophenyl)propyl prop-2-enoate
CID 88710121
2-[[2-(3-nitrophenyl)acetyl]-prop-2-enylamino]acetic acid
CID 104541001
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 7990123
N-[(2,4-dinitrophenyl)methyl]prop-2-en-1-amine
CID 66222839
4-(2,4-dinitrophenyl)butan-2-one
CID 66223072
2-(2,4-dinitrophenyl)acetic acid;ethyl 2-(2,4-dinitrophenyl)acetate
CID 173386473
(NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine
CID 5355471
N-ethyl-2-iodo-5-nitro-N-prop-2-enylbenzamide
CID 78983279
1-(2-fluoroethyl)-2,4-dinitrobenzene
CID 14809005
3-amino-N-[(3-nitrophenyl)methyl]-N-prop-2-enylpropanamide
CID 119308763

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide (CID 4628427) is 2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is FGPGXWFUEAVHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-3-7-15(8-4-2)14(18)9-11-5-6-12(16(19)20)10-13(11)17(21)22/h3-6,10H,1-2,7-9H2.
What are the key properties of 2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide?
2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 305.29 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 4628427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).