N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide

C30H33NO5 — CID 45199784

IUPACN-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cc(CN(CC2CCCO2)C(=O)c2ccccc2OC)ccc1OC1Cc2ccccc2C1
InChIInChI=1S/C30H33NO5/c1-33-27-12-6-5-11-26(27)30(32)31(20-24-10-7-15-35-24)19-21-13-14-28(29(16-21)34-2)36-25-17-22-8-3-4-9-23(22)18-25/h3-6,8-9,11-14,16,24-25H,7,10,15,17-20H2,1-2H3
InChIKeyHOJGGQIVJQFCHO-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.07
Rot. Bonds9

About N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide

N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 45199784) has the molecular formula C30H33NO5 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID45199784
Molecular FormulaC30H33NO5
Molecular Weight487.60 g/mol
Exact Mass487.24
IUPAC NameN-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cc(CN(CC2CCCO2)C(=O)c2ccccc2OC)ccc1OC1Cc2ccccc2C1
InChIInChI=1S/C30H33NO5/c1-33-27-12-6-5-11-26(27)30(32)31(20-24-10-7-15-35-24)19-21-13-14-28(29(16-21)34-2)36-25-17-22-8-3-4-9-23(22)18-25/h3-6,8-9,11-14,16,24-25H,7,10,15,17-20H2,1-2H3
InChIKeyHOJGGQIVJQFCHO-UHFFFAOYSA-N
XLogP5.07
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 45235774
(E)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 26353993
N-[(3,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 51687516
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide
CID 42406053
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4301221
5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862
2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 26319724
3,4-dimethoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24678698
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 24678704
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95898891
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide (CID 45199784) is N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide is COc1cc(CN(CC2CCCO2)C(=O)c2ccccc2OC)ccc1OC1Cc2ccccc2C1.
What is the InChIKey of N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is HOJGGQIVJQFCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO5/c1-33-27-12-6-5-11-26(27)30(32)31(20-24-10-7-15-35-24)19-21-13-14-28(29(16-21)34-2)36-25-17-22-8-3-4-9-23(22)18-25/h3-6,8-9,11-14,16,24-25H,7,10,15,17-20H2,1-2H3.
What are the key properties of N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide?
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 487.60 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 45199784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).