N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide

C21H27N3O2 — CID 23140494

IUPACN-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide
SMILESCCCN(c1ccccc1)C1CN(C(=O)Nc2ccc(OCC)cc2)C1
InChIInChI=1S/C21H27N3O2/c1-3-14-24(18-8-6-5-7-9-18)19-15-23(16-19)21(25)22-17-10-12-20(13-11-17)26-4-2/h5-13,19H,3-4,14-16H2,1-2H3,(H,22,25)
InChIKeyMQUJLAVWSLDUNJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.22
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide

N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide (PubChem CID 23140494) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide
PubChem CID23140494
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide
SMILESCCCN(c1ccccc1)C1CN(C(=O)Nc2ccc(OCC)cc2)C1
InChIInChI=1S/C21H27N3O2/c1-3-14-24(18-8-6-5-7-9-18)19-15-23(16-19)21(25)22-17-10-12-20(13-11-17)26-4-2/h5-13,19H,3-4,14-16H2,1-2H3,(H,22,25)
InChIKeyMQUJLAVWSLDUNJ-UHFFFAOYSA-N
XLogP4.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-3-(N-propylanilino)azetidine-1-carboxamide
CID 23140252
N-(3,5-dimethylphenyl)-3-(N-ethylanilino)azetidine-1-carboxamide
CID 23140108
N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139858
N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187581
N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
CID 7165091
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
3-(diethylamino)-N-phenylazetidine-1-carboxamide
CID 23140628
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 146078584
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000351
N-(4-ethoxyphenyl)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122252055

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide (CID 23140494) is N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide is CCCN(c1ccccc1)C1CN(C(=O)Nc2ccc(OCC)cc2)C1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide?
The InChIKey is MQUJLAVWSLDUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-14-24(18-8-6-5-7-9-18)19-15-23(16-19)21(25)22-17-10-12-20(13-11-17)26-4-2/h5-13,19H,3-4,14-16H2,1-2H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide?
N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide is sourced from PubChem (CID 23140494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).