N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide

C19H20N2O4 — CID 3127031

IUPACN-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCCCCOc1ccccc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N2O4/c1-2-3-14-25-18-7-5-4-6-17(18)20-19(22)13-10-15-8-11-16(12-9-15)21(23)24/h4-13H,2-3,14H2,1H3,(H,20,22)
InChIKeyGCLHQQNBSAYVHG-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.43
Rot. Bonds8

About N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide

N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 3127031) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID3127031
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCCCCOc1ccccc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N2O4/c1-2-3-14-25-18-7-5-4-6-17(18)20-19(22)13-10-15-8-11-16(12-9-15)21(23)24/h4-13H,2-3,14H2,1H3,(H,20,22)
InChIKeyGCLHQQNBSAYVHG-UHFFFAOYSA-N
XLogP4.43
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 20834743
N-(2-butoxy-5-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 76861901
(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17186941
N-(2,5-diethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 75618226
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
4-[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenoxy]benzoic acid
CID 174548810
(E)-N-(2-butoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 166162419
3-(3-bromo-4-methoxyphenyl)-N-(2-butoxyphenyl)prop-2-enamide
CID 3609186
N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 17087091
(E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 19204245
N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4591037
(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 19165851

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide (CID 3127031) is N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide is CCCCOc1ccccc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is GCLHQQNBSAYVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-3-14-25-18-7-5-4-6-17(18)20-19(22)13-10-15-8-11-16(12-9-15)21(23)24/h4-13H,2-3,14H2,1H3,(H,20,22).
What are the key properties of N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide?
N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 340.38 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 3127031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).