N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

C23H28N2O3 — CID 41409796

IUPACN-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H28N2O3/c1-15-8-9-18(14-20(15)25-23(27)21-7-4-12-28-21)22(26)24-19-11-10-16-5-2-3-6-17(16)13-19/h4,7-9,12,14,16-17,19H,2-3,5-6,10-11,13H2,1H3,(H,24,26)(H,25,27)/t16-,17-,19-/m1/s1
InChIKeyFWWAAVPLFRUJKP-ZHALLVOQSA-N
MW380.49 g/mol
LogP4.93
Rot. Bonds4

About N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 41409796) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID41409796
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H28N2O3/c1-15-8-9-18(14-20(15)25-23(27)21-7-4-12-28-21)22(26)24-19-11-10-16-5-2-3-6-17(16)13-19/h4,7-9,12,14,16-17,19H,2-3,5-6,10-11,13H2,1H3,(H,24,26)(H,25,27)/t16-,17-,19-/m1/s1
InChIKeyFWWAAVPLFRUJKP-ZHALLVOQSA-N
XLogP4.93
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119474347
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448655
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545
N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78772109
3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 55634715
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 124785873
N-[2-methyl-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51273057
N-[5-[(1-amino-2-cyclopropylpropan-2-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119572236
N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55550875
methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate
CID 30373031
N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 120659344

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 41409796) is N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is FWWAAVPLFRUJKP-ZHALLVOQSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15-8-9-18(14-20(15)25-23(27)21-7-4-12-28-21)22(26)24-19-11-10-16-5-2-3-6-17(16)13-19/h4,7-9,12,14,16-17,19H,2-3,5-6,10-11,13H2,1H3,(H,24,26)(H,25,27)/t16-,17-,19-/m1/s1.
What are the key properties of N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 41409796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).