N-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide

C21H24N2O2 — CID 2717080

IUPACN-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide
SMILESCc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=O)c2ccco2)C1(C)C
InChIInChI=1S/C21H24N2O2/c1-13-18(14-7-4-5-8-16(14)23-13)19-15(21(19,2)3)10-11-22-20(24)17-9-6-12-25-17/h4-9,12,15,19,23H,10-11H2,1-3H3,(H,22,24)/t15-,19+/m0/s1
InChIKeyRYNNDFMUPGRFQM-HNAYVOBHSA-N
MW336.44 g/mol
LogP4.63
Rot. Bonds5

About N-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide

N-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide (PubChem CID 2717080) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide
PubChem CID2717080
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide
SMILESCc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=O)c2ccco2)C1(C)C
InChIInChI=1S/C21H24N2O2/c1-13-18(14-7-4-5-8-16(14)23-13)19-15(21(19,2)3)10-11-22-20(24)17-9-6-12-25-17/h4-9,12,15,19,23H,10-11H2,1-3H3,(H,22,24)/t15-,19+/m0/s1
InChIKeyRYNNDFMUPGRFQM-HNAYVOBHSA-N
XLogP4.63
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-3,4,5-trimethoxybenzamide
CID 4874241
1-(4-chlorophenyl)-3-[2-[(1S,3R)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]thiourea
CID 92918112
N-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]-1-(4-fluorophenyl)-5-phenyltriazole-4-carboxamide
CID 3676020
1-butyl-3-[2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethylsulfanyl]urea
CID 22308267
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7880037
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-(1-adamantyl)-2-[[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl]-(furan-2-ylmethyl)amino]-2-methylpropanamide
CID 124544845
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]furan-2-carboxamide
CID 110359265
3-(3,3-dimethyloxiran-2-yl)-2-methyl-1H-indole
CID 116864052
N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide
CID 106385845
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide
CID 110404630

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide (CID 2717080) is N-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide is Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=O)c2ccco2)C1(C)C.
What is the InChIKey of N-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide?
The InChIKey is RYNNDFMUPGRFQM-HNAYVOBHSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-13-18(14-7-4-5-8-16(14)23-13)19-15(21(19,2)3)10-11-22-20(24)17-9-6-12-25-17/h4-9,12,15,19,23H,10-11H2,1-3H3,(H,22,24)/t15-,19+/m0/s1.
What are the key properties of N-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide?
N-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 2717080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).