(E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C19H21NO2 — CID 18277233

IUPAC(E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCc1ccc(C)c(NC(=O)/C=C/c2ccc(C3CC3C)o2)c1
InChIInChI=1S/C19H21NO2/c1-12-4-5-13(2)17(10-12)20-19(21)9-7-15-6-8-18(22-15)16-11-14(16)3/h4-10,14,16H,11H2,1-3H3,(H,20,21)/b9-7+
InChIKeyBSUZWONFBJDURE-VQHVLOKHSA-N
MW295.38 g/mol
LogP4.67
Rot. Bonds4

About (E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

(E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 18277233) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID18277233
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCc1ccc(C)c(NC(=O)/C=C/c2ccc(C3CC3C)o2)c1
InChIInChI=1S/C19H21NO2/c1-12-4-5-13(2)17(10-12)20-19(21)9-7-15-6-8-18(22-15)16-11-14(16)3/h4-10,14,16H,11H2,1-3H3,(H,20,21)/b9-7+
InChIKeyBSUZWONFBJDURE-VQHVLOKHSA-N
XLogP4.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 124834120
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 46649376
3-[[(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41270258
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43237027
(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate
CID 7131871
N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide
CID 98645041
(E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43016428
(E)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 104927612
(E)-N-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid
CID 77012974
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 126815519

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 18277233) is (E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is Cc1ccc(C)c(NC(=O)/C=C/c2ccc(C3CC3C)o2)c1.
What is the InChIKey of (E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is BSUZWONFBJDURE-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H21NO2/c1-12-4-5-13(2)17(10-12)20-19(21)9-7-15-6-8-18(22-15)16-11-14(16)3/h4-10,14,16H,11H2,1-3H3,(H,20,21)/b9-7+.
What are the key properties of (E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
(E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 18277233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).