5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

C28H29ClN2O5 — CID 45241176

IUPAC5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(CN(CC2CCCO2)C(=O)c2[nH]c3ccc(Cl)cc3c2C)cc1OCc1ccco1
InChIInChI=1S/C28H29ClN2O5/c1-18-23-14-20(29)8-9-24(23)30-27(18)28(32)31(16-21-5-3-11-34-21)15-19-7-10-25(33-2)26(13-19)36-17-22-6-4-12-35-22/h4,6-10,12-14,21,30H,3,5,11,15-17H2,1-2H3
InChIKeyBYYPXHCCNRAJJY-UHFFFAOYSA-N
MW509.00 g/mol
LogP6.13
Rot. Bonds9

About 5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide

5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 45241176) has the molecular formula C28H29ClN2O5 and a molecular weight of 509.00 g/mol. Its IUPAC name is 5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID45241176
Molecular FormulaC28H29ClN2O5
Molecular Weight509.00 g/mol
Exact Mass508.18
IUPAC Name5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(CN(CC2CCCO2)C(=O)c2[nH]c3ccc(Cl)cc3c2C)cc1OCc1ccco1
InChIInChI=1S/C28H29ClN2O5/c1-18-23-14-20(29)8-9-24(23)30-27(18)28(32)31(16-21-5-3-11-34-21)15-19-7-10-25(33-2)26(13-19)36-17-22-6-4-12-35-22/h4,6-10,12-14,21,30H,3,5,11,15-17H2,1-2H3
InChIKeyBYYPXHCCNRAJJY-UHFFFAOYSA-N
XLogP6.13
TPSA76.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.00
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 118754705
N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42368360
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 3361350
3,4-dimethoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24678698
4-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98236161
N-[(3,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 51687516
5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862
5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42280222
2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 26319724
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825
6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35338090
4-methoxy-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 118754774

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide (CID 45241176) is 5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is COc1ccc(CN(CC2CCCO2)C(=O)c2[nH]c3ccc(Cl)cc3c2C)cc1OCc1ccco1.
What is the InChIKey of 5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is BYYPXHCCNRAJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O5/c1-18-23-14-20(29)8-9-24(23)30-27(18)28(32)31(16-21-5-3-11-34-21)15-19-7-10-25(33-2)26(13-19)36-17-22-6-4-12-35-22/h4,6-10,12-14,21,30H,3,5,11,15-17H2,1-2H3.
What are the key properties of 5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide?
5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 509.00 g/mol, XLogP of 6.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 45241176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).