3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide

C22H25N3O3 — CID 51146977

IUPAC3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C22H25N3O3/c1-3-15-7-4-5-10-19(15)24-20(26)14-25(2)22(28)17-8-6-9-18(13-17)23-21(27)16-11-12-16/h4-10,13,16H,3,11-12,14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyCAWRBIMAUTZCNN-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.31
Rot. Bonds7

About 3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide

3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 51146977) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID51146977
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C22H25N3O3/c1-3-15-7-4-5-10-19(15)24-20(26)14-25(2)22(28)17-8-6-9-18(13-17)23-21(27)16-11-12-16/h4-10,13,16H,3,11-12,14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyCAWRBIMAUTZCNN-UHFFFAOYSA-N
XLogP3.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 17195088
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CID 40704434
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide
CID 32582405
methyl 4-[[3-(cyclopropanecarbonylamino)benzoyl]-methylamino]butanoate
CID 39491124
3-(cyclopropanecarbonylamino)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]benzamide
CID 34577765
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136391
N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 119659590
3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 36784446
3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 31670360
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyloxane-4-carboxamide
CID 51189142
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide (CID 51146977) is 3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is CAWRBIMAUTZCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-15-7-4-5-10-19(15)24-20(26)14-25(2)22(28)17-8-6-9-18(13-17)23-21(27)16-11-12-16/h4-10,13,16H,3,11-12,14H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide?
3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 379.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 51146977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).