1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide

C22H24N2O3 — CID 91765488

IUPAC1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
SMILESCn1c(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cc2ccccc21
InChIInChI=1S/C22H24N2O3/c1-24-19-10-6-5-9-17(19)13-20(24)22(25)23-18-15-26-12-11-21(18)27-14-16-7-3-2-4-8-16/h2-10,13,18,21H,11-12,14-15H2,1H3,(H,23,25)/t18-,21+/m1/s1
InChIKeyPYPYBOKKVHONAS-NQIIRXRSSA-N
MW364.44 g/mol
LogP3.28
Rot. Bonds5

About 1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide

1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide (PubChem CID 91765488) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
PubChem CID91765488
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
SMILESCn1c(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cc2ccccc21
InChIInChI=1S/C22H24N2O3/c1-24-19-10-6-5-9-17(19)13-20(24)22(25)23-18-15-26-12-11-21(18)27-14-16-7-3-2-4-8-16/h2-10,13,18,21H,11-12,14-15H2,1H3,(H,23,25)/t18-,21+/m1/s1
InChIKeyPYPYBOKKVHONAS-NQIIRXRSSA-N
XLogP3.28
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
(2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-2-[(1-methyl-1H-indol-2-yl)formamido]pentanamide
CID 11962098
(2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-(1H-indol-2-ylformamido)-4-methylpentanamide
CID 23648426
N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
(1H-Indol-2-yl)(4-(2-(4-methoxyphenoxy)ethyl)piperazin-1-yl)methanone
CID 27842480
N-[2-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 42626317
1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]indole-2-carboxamide
CID 58355366
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 455390
6-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-1H,3H,4H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696125
Ethyl 3-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate
CID 15951678
1-(3-methoxyphenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801212
Methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate
CID 155537892

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide (CID 91765488) is 1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide is Cn1c(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cc2ccccc21.
What is the InChIKey of 1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide?
The InChIKey is PYPYBOKKVHONAS-NQIIRXRSSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-24-19-10-6-5-9-17(19)13-20(24)22(25)23-18-15-26-12-11-21(18)27-14-16-7-3-2-4-8-16/h2-10,13,18,21H,11-12,14-15H2,1H3,(H,23,25)/t18-,21+/m1/s1.
What are the key properties of 1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide?
1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide is sourced from PubChem (CID 91765488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).