3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide

C22H27N3O2 — CID 31591035

IUPAC3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide
SMILESCCN(CCCNC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-2-25(20-10-4-3-5-11-20)15-7-14-23-21(26)18-8-6-9-19(16-18)24-22(27)17-12-13-17/h3-6,8-11,16-17H,2,7,12-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyVIFRWQPQZDOBRG-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.68
Rot. Bonds9

About 3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide

3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide (PubChem CID 31591035) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide
PubChem CID31591035
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide
SMILESCCN(CCCNC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-2-25(20-10-4-3-5-11-20)15-7-14-23-21(26)18-8-6-9-19(16-18)24-22(27)17-12-13-17/h3-6,8-11,16-17H,2,7,12-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyVIFRWQPQZDOBRG-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
CID 33047741
3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 27897925
N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119384006
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 51151148
2-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241565
3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide
CID 31444384
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
3-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]-N-[3-(N-ethylanilino)propyl]benzamide
CID 124772417
3-[[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]-N-[3-(N-ethylanilino)propyl]benzamide
CID 124772418
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide
CID 37315817
3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
CID 119508589

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide (CID 31591035) is 3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide is CCN(CCCNC(=O)c1cccc(NC(=O)C2CC2)c1)c1ccccc1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide?
The InChIKey is VIFRWQPQZDOBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-25(20-10-4-3-5-11-20)15-7-14-23-21(26)18-8-6-9-19(16-18)24-22(27)17-12-13-17/h3-6,8-11,16-17H,2,7,12-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide?
3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide is sourced from PubChem (CID 31591035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).