N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide

C19H21NO2 — CID 75853603

IUPACN-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)C2CC=CCC2)cc1
InChIInChI=1S/C19H21NO2/c1-15-9-11-17(12-10-15)20(14-18-8-5-13-22-18)19(21)16-6-3-2-4-7-16/h2-3,5,8-13,16H,4,6-7,14H2,1H3
InChIKeyRDSMUIBMJNEBKJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.48
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide

N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 75853603) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID75853603
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)C2CC=CCC2)cc1
InChIInChI=1S/C19H21NO2/c1-15-9-11-17(12-10-15)20(14-18-8-5-13-22-18)19(21)16-6-3-2-4-7-16/h2-3,5,8-13,16H,4,6-7,14H2,1H3
InChIKeyRDSMUIBMJNEBKJ-UHFFFAOYSA-N
XLogP4.48
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(cyclohex-3-ene-1-carbonyl)-4-methylanilino]acetic acid
CID 60832118
4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 86877844
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 55668767
1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 30992627
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113
(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 33094541
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 43034035
N-(furan-2-ylmethyl)-N-phenyloxolane-3-carboxamide
CID 5047915
(2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 30991618
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55756275
N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 46046017
N-(furan-2-ylmethyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 31963917

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide (CID 75853603) is N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide is Cc1ccc(N(Cc2ccco2)C(=O)C2CC=CCC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is RDSMUIBMJNEBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15-9-11-17(12-10-15)20(14-18-8-5-13-22-18)19(21)16-6-3-2-4-7-16/h2-3,5,8-13,16H,4,6-7,14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide?
N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 75853603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).