1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide

C24H31ClN2O3 — CID 176930959

IUPAC1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2cc(C)c(OCc3ccc(OC(C)C)c(Cl)c3)c(C)c2)C1
InChIInChI=1S/C24H31ClN2O3/c1-15(2)30-22-7-6-18(10-21(22)25)14-29-23-16(3)8-19(9-17(23)4)11-27-12-20(13-27)24(28)26-5/h6-10,15,20H,11-14H2,1-5H3,(H,26,28)
InChIKeyREOFXXHGICQYHK-UHFFFAOYSA-N
MW430.98 g/mol
LogP4.50
Rot. Bonds8

About 1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide

1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide (PubChem CID 176930959) has the molecular formula C24H31ClN2O3 and a molecular weight of 430.98 g/mol. Its IUPAC name is 1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
PubChem CID176930959
Molecular FormulaC24H31ClN2O3
Molecular Weight430.98 g/mol
Exact Mass430.20
IUPAC Name1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2cc(C)c(OCc3ccc(OC(C)C)c(Cl)c3)c(C)c2)C1
InChIInChI=1S/C24H31ClN2O3/c1-15(2)30-22-7-6-18(10-21(22)25)14-29-23-16(3)8-19(9-17(23)4)11-27-12-20(13-27)24(28)26-5/h6-10,15,20H,11-14H2,1-5H3,(H,26,28)
InChIKeyREOFXXHGICQYHK-UHFFFAOYSA-N
XLogP4.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-[(3-chloro-5-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930134
1-[[4-[[3-(difluoromethoxy)phenyl]methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929848
N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176931156
N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide
CID 167870587
N-methyl-1-[[3-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930885
1-[[4-[(4-cyano-5-propan-2-yloxy-2-pyridinyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930270
1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930466
1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide
CID 176930014
1-[[6-[(3-cyano-4-propan-2-yloxyphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide
CID 176999697
1-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930187
1-[[4-[[3-(difluoromethoxy)phenyl]methoxy]-3,5-dimethylphenyl]methyl]azetidine-3-carboxylic acid
CID 176930898
1-[[4-[(2-cyano-4-pyridinyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930777

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide (CID 176930959) is 1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(Cc2cc(C)c(OCc3ccc(OC(C)C)c(Cl)c3)c(C)c2)C1.
What is the InChIKey of 1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide?
The InChIKey is REOFXXHGICQYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O3/c1-15(2)30-22-7-6-18(10-21(22)25)14-29-23-16(3)8-19(9-17(23)4)11-27-12-20(13-27)24(28)26-5/h6-10,15,20H,11-14H2,1-5H3,(H,26,28).
What are the key properties of 1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide?
1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide has a molecular weight of 430.98 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 176930959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).