N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide

C22H24N2O2 — CID 38468848

IUPACN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C2CC2)cc1
InChIInChI=1S/C22H24N2O2/c1-13-14(2)23-20-11-8-17(12-19(13)20)22(25)24-21(15-4-5-15)16-6-9-18(26-3)10-7-16/h6-12,15,21,23H,4-5H2,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyCWHLULTWLBYYFU-OAQYLSRUSA-N
MW348.45 g/mol
LogP4.67
Rot. Bonds5

About N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 38468848) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID38468848
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C2CC2)cc1
InChIInChI=1S/C22H24N2O2/c1-13-14(2)23-20-11-8-17(12-19(13)20)22(25)24-21(15-4-5-15)16-6-9-18(26-3)10-7-16/h6-12,15,21,23H,4-5H2,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyCWHLULTWLBYYFU-OAQYLSRUSA-N
XLogP4.67
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.67
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-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 9451091
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 9451089
N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 42925486
4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545772
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55470366
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136845482
5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 97000101
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 38468848) is N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide is COc1ccc([C@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C2CC2)cc1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is CWHLULTWLBYYFU-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-13-14(2)23-20-11-8-17(12-19(13)20)22(25)24-21(15-4-5-15)16-6-9-18(26-3)10-7-16/h6-12,15,21,23H,4-5H2,1-3H3,(H,24,25)/t21-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 38468848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).