1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene

C18H28N2O2 — CID 176930441

IUPAC1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene
SMILESC=C.CCCCOc1ccc(CN2CC(C(=O)NC)C2)cc1
InChIInChI=1S/C16H24N2O2.C2H4/c1-3-4-9-20-15-7-5-13(6-8-15)10-18-11-14(12-18)16(19)17-2;1-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,17,19);1-2H2
InChIKeyFZAGCFGYDSWOBD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.85
Rot. Bonds7

About 1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene

1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene (PubChem CID 176930441) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene.

Molecular Properties

Compound Name1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene
PubChem CID176930441
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene
SMILESC=C.CCCCOc1ccc(CN2CC(C(=O)NC)C2)cc1
InChIInChI=1S/C16H24N2O2.C2H4/c1-3-4-9-20-15-7-5-13(6-8-15)10-18-11-14(12-18)16(19)17-2;1-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,17,19);1-2H2
InChIKeyFZAGCFGYDSWOBD-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 176930266
N-methyl-1-[[4-(1H-pyrazol-4-ylmethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176931109
N-methyl-1-[(3-methyl-4-propoxyphenyl)methyl]azetidine-3-carboxamide
CID 167870587
1-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930187
(3R,5S)-1-[(4-pentoxyphenyl)methyl]piperidine-3,4,5-triol
CID 166834208
1-[[4-[(2-cyano-4-pyridinyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930777
1-[[4-[(5-cyano-2-pyridinyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930892
N-(2-hydroxyethyl)-1-[[4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176930169
1-[[4-[(4-chloro-3-cyclopentylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930466
1-[[4-[[3-cyano-5-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930875
1-[[4-[(3-cyano-4-cyclobutylphenyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929923
1-[[4-(3-methylbutoxy)phenyl]methyl]-N-(4,4,4-trifluorobutyl)azetidine-3-carboxamide
CID 176930132

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene?
The IUPAC name of 1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene (CID 176930441) is 1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene.
What is the SMILES notation for 1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene?
The canonical SMILES for 1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene is C=C.CCCCOc1ccc(CN2CC(C(=O)NC)C2)cc1.
What is the InChIKey of 1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene?
The InChIKey is FZAGCFGYDSWOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.C2H4/c1-3-4-9-20-15-7-5-13(6-8-15)10-18-11-14(12-18)16(19)17-2;1-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,17,19);1-2H2.
What are the key properties of 1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene?
1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene has a molecular weight of 304.43 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butoxyphenyl)methyl]-N-methylazetidine-3-carboxamide;ethene is sourced from PubChem (CID 176930441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).