N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide

C26H27NO4 — CID 55534185

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N(C)C2CCc3ccccc32)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H27NO4/c1-27(22-14-13-19-11-7-8-12-21(19)22)26(28)20-15-23(29-2)25(24(16-20)30-3)31-17-18-9-5-4-6-10-18/h4-12,15-16,22H,13-14,17H2,1-3H3
InChIKeyZMMIQSMFUUDSFW-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.04
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide

N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide (PubChem CID 55534185) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide
PubChem CID55534185
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N(C)C2CCc3ccccc32)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C26H27NO4/c1-27(22-14-13-19-11-7-8-12-21(19)22)26(28)20-15-23(29-2)25(24(16-20)30-3)31-17-18-9-5-4-6-10-18/h4-12,15-16,22H,13-14,17H2,1-3H3
InChIKeyZMMIQSMFUUDSFW-UHFFFAOYSA-N
XLogP5.04
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide
CID 55539623
3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443555
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43578962
3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide
CID 55602174
[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 55364946
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
(4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid
CID 134328120
5-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-3-carboxamide
CID 47159920
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24512905
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide
CID 99790409
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 59451825

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide (CID 55534185) is N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide is COc1cc(C(=O)N(C)C2CCc3ccccc32)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide?
The InChIKey is ZMMIQSMFUUDSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-27(22-14-13-19-11-7-8-12-21(19)22)26(28)20-15-23(29-2)25(24(16-20)30-3)31-17-18-9-5-4-6-10-18/h4-12,15-16,22H,13-14,17H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide?
N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide has a molecular weight of 417.51 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide is sourced from PubChem (CID 55534185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).