N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide

C28H35N3O2 — CID 156785352

IUPACN-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1CNCCC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C28H35N3O2/c1-33-27-9-5-3-7-23(27)24-16-21(24)18-29-15-14-19-10-12-22(13-11-19)30-28(32)26-17-20-6-2-4-8-25(20)31-26/h2-9,17,19,21-22,24,29,31H,10-16,18H2,1H3,(H,30,32)/t19?,21-,22?,24+/m0/s1
InChIKeyFCKYULPWLRPEBQ-GIFYUCOESA-N
MW445.61 g/mol
LogP5.25
Rot. Bonds9

About N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide

N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 156785352) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID156785352
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC NameN-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1CNCCC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C28H35N3O2/c1-33-27-9-5-3-7-23(27)24-16-21(24)18-29-15-14-19-10-12-22(13-11-19)30-28(32)26-17-20-6-2-4-8-25(20)31-26/h2-9,17,19,21-22,24,29,31H,10-16,18H2,1H3,(H,30,32)/t19?,21-,22?,24+/m0/s1
InChIKeyFCKYULPWLRPEBQ-GIFYUCOESA-N
XLogP5.25
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
CID 44524833
N-(4-aminocyclohexyl)-1H-indole-2-carboxamide
CID 62318715
2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62714428
N-(3-methylcyclopentyl)-1H-indole-2-carboxamide
CID 114550625
N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 64742784
N-(3-ethoxycyclobutyl)-1H-indole-2-carboxamide
CID 102612122
7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-1H-quinolin-2-one
CID 164622481
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-methoxybenzamide
CID 52899027
N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62704571
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
CID 61237731
N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide (CID 156785352) is N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide is COc1ccccc1[C@@H]1C[C@H]1CNCCC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is FCKYULPWLRPEBQ-GIFYUCOESA-N. The full InChI is InChI=1S/C28H35N3O2/c1-33-27-9-5-3-7-23(27)24-16-21(24)18-29-15-14-19-10-12-22(13-11-19)30-28(32)26-17-20-6-2-4-8-25(20)31-26/h2-9,17,19,21-22,24,29,31H,10-16,18H2,1H3,(H,30,32)/t19?,21-,22?,24+/m0/s1.
What are the key properties of N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide?
N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 5.25, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methylamino]ethyl]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 156785352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).