4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide

C21H26N4O2 — CID 47056970

IUPAC4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide
SMILESCC(CNC(=O)c1ccc(NC(=O)NC2CC2)cc1)N(C)c1ccccc1
InChIInChI=1S/C21H26N4O2/c1-15(25(2)19-6-4-3-5-7-19)14-22-20(26)16-8-10-17(11-9-16)23-21(27)24-18-12-13-18/h3-11,15,18H,12-14H2,1-2H3,(H,22,26)(H2,23,24,27)
InChIKeyQIMAYPLEFULBBX-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.23
Rot. Bonds7

About 4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide

4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide (PubChem CID 47056970) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide
PubChem CID47056970
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide
SMILESCC(CNC(=O)c1ccc(NC(=O)NC2CC2)cc1)N(C)c1ccccc1
InChIInChI=1S/C21H26N4O2/c1-15(25(2)19-6-4-3-5-7-19)14-22-20(26)16-8-10-17(11-9-16)23-21(27)24-18-12-13-18/h3-11,15,18H,12-14H2,1-2H3,(H,22,26)(H2,23,24,27)
InChIKeyQIMAYPLEFULBBX-UHFFFAOYSA-N
XLogP3.23
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 39884786
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46533296
1-[2-(N-methylanilino)propyl]-3-[4-(1-methylimidazole-2-carbonyl)phenyl]urea
CID 51115577
4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 52506460
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034
1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea
CID 112985056
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-[(2R)-2-(N-methylanilino)propyl]cyclopropanecarboxamide
CID 94119244
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide
CID 55796342

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide (CID 47056970) is 4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide is CC(CNC(=O)c1ccc(NC(=O)NC2CC2)cc1)N(C)c1ccccc1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide?
The InChIKey is QIMAYPLEFULBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(25(2)19-6-4-3-5-7-19)14-22-20(26)16-8-10-17(11-9-16)23-21(27)24-18-12-13-18/h3-11,15,18H,12-14H2,1-2H3,(H,22,26)(H2,23,24,27).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide?
4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide has a molecular weight of 366.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 47056970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).