(E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide

C16H20N2O3 — CID 18102009

IUPAC(E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide
SMILESCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C16H20N2O3/c1-17(14-8-3-2-4-9-14)16(19)12-11-13-7-5-6-10-15(13)18(20)21/h5-7,10-12,14H,2-4,8-9H2,1H3/b12-11+
InChIKeyBAMCZCFXPLRYTI-VAWYXSNFSA-N
MW288.35 g/mol
LogP3.40
Rot. Bonds4

About (E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide

(E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 18102009) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide
PubChem CID18102009
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide
SMILESCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C16H20N2O3/c1-17(14-8-3-2-4-9-14)16(19)12-11-13-7-5-6-10-15(13)18(20)21/h5-7,10-12,14H,2-4,8-9H2,1H3/b12-11+
InChIKeyBAMCZCFXPLRYTI-VAWYXSNFSA-N
XLogP3.40
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-methyl-3-(2-nitrophenyl)-N-pyrrolidin-3-ylprop-2-enamide
CID 76994737
(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide
CID 102684933
N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide
CID 90423542
N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 72687651
2-methyl-2-[methyl-[3-(2-nitrophenyl)prop-2-enoyl]amino]propanoic acid
CID 76949962
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
(E)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 33078421
(E)-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 78837588
3-(3-bromophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 3285208
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 76856856

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide (CID 18102009) is (E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide is CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is BAMCZCFXPLRYTI-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17(14-8-3-2-4-9-14)16(19)12-11-13-7-5-6-10-15(13)18(20)21/h5-7,10-12,14H,2-4,8-9H2,1H3/b12-11+.
What are the key properties of (E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 18102009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).