4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide

C27H30N2O3 — CID 168879371

IUPAC4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide
SMILESCCOc1cc(CN2Cc3ccccc3C2)ccc1OCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C27H30N2O3/c1-4-31-26-15-21(16-29-17-23-7-5-6-8-24(23)18-29)11-14-25(26)32-19-20-9-12-22(13-10-20)27(30)28(2)3/h5-15H,4,16-19H2,1-3H3
InChIKeyWUZAQXGNDDQACT-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.88
Rot. Bonds8

About 4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide

4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide (PubChem CID 168879371) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide
PubChem CID168879371
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide
SMILESCCOc1cc(CN2Cc3ccccc3C2)ccc1OCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C27H30N2O3/c1-4-31-26-15-21(16-29-17-23-7-5-6-8-24(23)18-29)11-14-25(26)32-19-20-9-12-22(13-10-20)27(30)28(2)3/h5-15H,4,16-19H2,1-3H3
InChIKeyWUZAQXGNDDQACT-UHFFFAOYSA-N
XLogP4.88
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenoxy]methyl]-N,N-dimethylbenzamide
CID 168879327
4-[[5-(1,3-dihydroisoindol-2-ylmethyl)quinolin-8-yl]oxymethyl]-N,N-dimethylbenzamide
CID 168879290
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
1-[4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methylsulfanylphenoxy]methyl]phenyl]ethanone
CID 166850819
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 765023
4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide
CID 134036287
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 27678333
1-[1-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2-methylbenzimidazole-5-carboxylic acid
CID 25070960
3-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840971
4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide
CID 134014692

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide (CID 168879371) is 4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide is CCOc1cc(CN2Cc3ccccc3C2)ccc1OCc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide?
The InChIKey is WUZAQXGNDDQACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-4-31-26-15-21(16-29-17-23-7-5-6-8-24(23)18-29)11-14-25(26)32-19-20-9-12-22(13-10-20)27(30)28(2)3/h5-15H,4,16-19H2,1-3H3.
What are the key properties of 4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide?
4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide has a molecular weight of 430.55 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-ethoxyphenoxy]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 168879371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).