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

C18H25NO2 — CID 114550449

IUPAC(E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)NC2CCC(C)(C)C2)o1
InChIInChI=1S/C18H25NO2/c1-12-10-15(12)16-6-4-14(21-16)5-7-17(20)19-13-8-9-18(2,3)11-13/h4-7,12-13,15H,8-11H2,1-3H3,(H,19,20)/b7-5+
InChIKeyPOIHWJMRNYNQHZ-FNORWQNLSA-N
MW287.40 g/mol
LogP4.11
Rot. Bonds4

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

(E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 114550449) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID114550449
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)NC2CCC(C)(C)C2)o1
InChIInChI=1S/C18H25NO2/c1-12-10-15(12)16-6-4-14(21-16)5-7-17(20)19-13-8-9-18(2,3)11-13/h4-7,12-13,15H,8-11H2,1-3H3,(H,19,20)/b7-5+
InChIKeyPOIHWJMRNYNQHZ-FNORWQNLSA-N
XLogP4.11
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.11
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-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 115880719
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
(E)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 104927612
(E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide
CID 114550368
(E)-3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 114550381
(E)-N-(3,3-dimethylcyclopentyl)-3-(3-methylphenyl)prop-2-enamide
CID 114550472
(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate
CID 7131871
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43237027
(E)-N-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide
CID 42921726
(E)-3-(benzenesulfonyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 114550405
2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid
CID 77012974

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 114550449) is (E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CC1CC1c1ccc(/C=C/C(=O)NC2CCC(C)(C)C2)o1.
What is the InChIKey of (E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is POIHWJMRNYNQHZ-FNORWQNLSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12-10-15(12)16-6-4-14(21-16)5-7-17(20)19-13-8-9-18(2,3)11-13/h4-7,12-13,15H,8-11H2,1-3H3,(H,19,20)/b7-5+.
What are the key properties of (E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
(E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 287.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 114550449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).