N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide

C16H24N2O2 — CID 167870587

IUPACN-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide
SMILESCCCOc1ccc(CN2CC(C(=O)NC)C2)cc1C
InChIInChI=1S/C16H24N2O2/c1-4-7-20-15-6-5-13(8-12(15)2)9-18-10-14(11-18)16(19)17-3/h5-6,8,14H,4,7,9-11H2,1-3H3,(H,17,19)
InChIKeyAOFICFXQWCFRNX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.96
Rot. Bonds6

About N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide

N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide (PubChem CID 167870587) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide
PubChem CID167870587
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide
SMILESCCCOc1ccc(CN2CC(C(=O)NC)C2)cc1C
InChIInChI=1S/C16H24N2O2/c1-4-7-20-15-6-5-13(8-12(15)2)9-18-10-14(11-18)16(19)17-3/h5-6,8,14H,4,7,9-11H2,1-3H3,(H,17,19)
InChIKeyAOFICFXQWCFRNX-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176931156
N-methyl-1-[[3-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930885
1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene
CID 176930441
(3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol
CID 167875684
1-[[4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930959
1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 176930266
1-[1-[(3,4-dimethylphenyl)methyl]azetidin-3-yl]propan-1-one
CID 176929990
4-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]-1,4-diazepan-5-one
CID 167768314
1-[[4-[[3-(difluoromethoxy)phenyl]methoxy]-3,5-dimethylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929848
1-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930187
1-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930273
1-[(4-butoxy-3-ethoxyphenyl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125528

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide (CID 167870587) is N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide is CCCOc1ccc(CN2CC(C(=O)NC)C2)cc1C.
What is the InChIKey of N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide?
The InChIKey is AOFICFXQWCFRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-7-20-15-6-5-13(8-12(15)2)9-18-10-14(11-18)16(19)17-3/h5-6,8,14H,4,7,9-11H2,1-3H3,(H,17,19).
What are the key properties of N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide?
N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 167870587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).