N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide

C21H26N2O3 — CID 47058890

IUPACN-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cccc(C2(CNC(=O)CNC(=O)c3ccoc3)CCCCC2)c1
InChIInChI=1S/C21H26N2O3/c1-16-6-5-7-18(12-16)21(9-3-2-4-10-21)15-23-19(24)13-22-20(25)17-8-11-26-14-17/h5-8,11-12,14H,2-4,9-10,13,15H2,1H3,(H,22,25)(H,23,24)
InChIKeyRAXDLIXTHZDIGU-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.34
Rot. Bonds6

About N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide

N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 47058890) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide
PubChem CID47058890
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cccc(C2(CNC(=O)CNC(=O)c3ccoc3)CCCCC2)c1
InChIInChI=1S/C21H26N2O3/c1-16-6-5-7-18(12-16)21(9-3-2-4-10-21)15-23-19(24)13-22-20(25)17-8-11-26-14-17/h5-8,11-12,14H,2-4,9-10,13,15H2,1H3,(H,22,25)(H,23,24)
InChIKeyRAXDLIXTHZDIGU-UHFFFAOYSA-N
XLogP3.34
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120560680
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]furan-3-carboxamide
CID 49497351
N-[(1-thiophen-3-ylcyclopentyl)methyl]furan-3-carboxamide
CID 86263777
7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 111696598
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119770594
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 60555754
N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 46461803
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide (CID 47058890) is N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide is Cc1cccc(C2(CNC(=O)CNC(=O)c3ccoc3)CCCCC2)c1.
What is the InChIKey of N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is RAXDLIXTHZDIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-6-5-7-18(12-16)21(9-3-2-4-10-21)15-23-19(24)13-22-20(25)17-8-11-26-14-17/h5-8,11-12,14H,2-4,9-10,13,15H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide?
N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 47058890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).