1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide

C28H35ClN2O2 — CID 176999671

IUPAC1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(CC2=C(C)c3ccc(OCc4ccc(CC(C)C)c(Cl)c4)cc3CC2)C1
InChIInChI=1S/C28H35ClN2O2/c1-18(2)11-22-6-5-20(12-27(22)29)17-33-25-9-10-26-19(3)23(8-7-21(26)13-25)14-31-15-24(16-31)28(32)30-4/h5-6,9-10,12-13,18,24H,7-8,11,14-17H2,1-4H3,(H,30,32)
InChIKeyAQGGZPOLLDEXDO-UHFFFAOYSA-N
MW467.05 g/mol
LogP5.51
Rot. Bonds8

About 1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide

1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide (PubChem CID 176999671) has the molecular formula C28H35ClN2O2 and a molecular weight of 467.05 g/mol. Its IUPAC name is 1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide
PubChem CID176999671
Molecular FormulaC28H35ClN2O2
Molecular Weight467.05 g/mol
Exact Mass466.24
IUPAC Name1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(CC2=C(C)c3ccc(OCc4ccc(CC(C)C)c(Cl)c4)cc3CC2)C1
InChIInChI=1S/C28H35ClN2O2/c1-18(2)11-22-6-5-20(12-27(22)29)17-33-25-9-10-26-19(3)23(8-7-21(26)13-25)14-31-15-24(16-31)28(32)30-4/h5-6,9-10,12-13,18,24H,7-8,11,14-17H2,1-4H3,(H,30,32)
InChIKeyAQGGZPOLLDEXDO-UHFFFAOYSA-N
XLogP5.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.05
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[[1-methyl-6-[(6-propan-2-yl-3-pyridinyl)methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide
CID 176999819
1-[[6-[(3-cyano-4-propan-2-yloxyphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide
CID 176999697
N-methyl-1-[[1-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxamide
CID 176999909
1-[[6-[[3-cyano-4-(trifluoromethyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide
CID 176999810
1-[[6-[(4-chloro-3-cyanophenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 176999684
1-[[6-[(4-tert-butylphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 23121630
1-[[6-[(3-fluoro-4-propan-2-yloxyphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 67195498
1-[[6-[3-(3,4-dichlorophenyl)propoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 23121161
1-[[6-[[4-(4-fluorophenyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 23121597
1-[[6-[(2-methoxy-4-propan-2-yloxyphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 67194979
1-[[1-methyl-6-(quinolin-7-ylmethoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
CID 23121242
methyl 1-[[1-methyl-6-[[4-(2-methylpropyl)-1,3-oxazol-2-yl]methoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylate
CID 67197316

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide (CID 176999671) is 1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(CC2=C(C)c3ccc(OCc4ccc(CC(C)C)c(Cl)c4)cc3CC2)C1.
What is the InChIKey of 1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide?
The InChIKey is AQGGZPOLLDEXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN2O2/c1-18(2)11-22-6-5-20(12-27(22)29)17-33-25-9-10-26-19(3)23(8-7-21(26)13-25)14-31-15-24(16-31)28(32)30-4/h5-6,9-10,12-13,18,24H,7-8,11,14-17H2,1-4H3,(H,30,32).
What are the key properties of 1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide?
1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide has a molecular weight of 467.05 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[[3-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 176999671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).