N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide

C20H25N3O — CID 23140108

IUPACN-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide
SMILESCCN(c1ccccc1)C1CN(C(=O)Nc2cc(C)cc(C)c2)C1
InChIInChI=1S/C20H25N3O/c1-4-23(18-8-6-5-7-9-18)19-13-22(14-19)20(24)21-17-11-15(2)10-16(3)12-17/h5-12,19H,4,13-14H2,1-3H3,(H,21,24)
InChIKeyCQWLNOBACCUBIP-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.05
Rot. Bonds4

About N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide

N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide (PubChem CID 23140108) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide
PubChem CID23140108
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide
SMILESCCN(c1ccccc1)C1CN(C(=O)Nc2cc(C)cc(C)c2)C1
InChIInChI=1S/C20H25N3O/c1-4-23(18-8-6-5-7-9-18)19-13-22(14-19)20(24)21-17-11-15(2)10-16(3)12-17/h5-12,19H,4,13-14H2,1-3H3,(H,21,24)
InChIKeyCQWLNOBACCUBIP-UHFFFAOYSA-N
XLogP4.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(diethylamino)-N-phenylazetidine-1-carboxamide
CID 23140628
N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide
CID 23140252
N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide
CID 23140494
N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide
CID 23140545
3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide
CID 23140142
3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide
CID 23139973
2-[4-[(3,5-dimethylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61189511
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
3-(diethylamino)-N-(2,4,6-trimethylphenyl)pyrrolidine-1-carboxamide
CID 72844192
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315184
5-[(3R)-1-[(3,5-dimethylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92879722

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide (CID 23140108) is N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide is CCN(c1ccccc1)C1CN(C(=O)Nc2cc(C)cc(C)c2)C1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide?
The InChIKey is CQWLNOBACCUBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-4-23(18-8-6-5-7-9-18)19-13-22(14-19)20(24)21-17-11-15(2)10-16(3)12-17/h5-12,19H,4,13-14H2,1-3H3,(H,21,24).
What are the key properties of N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide?
N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide is sourced from PubChem (CID 23140108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).