N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide

C12H17N3O — CID 69092727

IUPACN-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
SMILESCN(C)c1cccc(NC(=O)N2CCC2)c1
InChIInChI=1S/C12H17N3O/c1-14(2)11-6-3-5-10(9-11)13-12(16)15-7-4-8-15/h3,5-6,9H,4,7-8H2,1-2H3,(H,13,16)
InChIKeyUJCREDXGYJUEQB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.99
Rot. Bonds2

About N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide

N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide (PubChem CID 69092727) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
PubChem CID69092727
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
SMILESCN(C)c1cccc(NC(=O)N2CCC2)c1
InChIInChI=1S/C12H17N3O/c1-14(2)11-6-3-5-10(9-11)13-12(16)15-7-4-8-15/h3,5-6,9H,4,7-8H2,1-2H3,(H,13,16)
InChIKeyUJCREDXGYJUEQB-UHFFFAOYSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[3-(dimethylamino)phenyl]carbamic acid
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3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
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CID 71984770
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
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N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide
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methyl 3-(pyrrolidine-1-carbonylamino)benzoate
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N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide (CID 69092727) is N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide is CN(C)c1cccc(NC(=O)N2CCC2)c1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide?
The InChIKey is UJCREDXGYJUEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14(2)11-6-3-5-10(9-11)13-12(16)15-7-4-8-15/h3,5-6,9H,4,7-8H2,1-2H3,(H,13,16).
What are the key properties of N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide?
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 69092727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).