4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide

C21H24N4O3 — CID 55511597

IUPAC4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
SMILESCC(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C21H24N4O3/c1-14(19(26)25-21(28)22-13-15-5-3-2-4-6-15)23-17-9-7-16(8-10-17)20(27)24-18-11-12-18/h2-10,14,18,23H,11-13H2,1H3,(H,24,27)(H2,22,25,26,28)
InChIKeyUBICVDVTSKAPOS-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.41
Rot. Bonds7

About 4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide

4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide (PubChem CID 55511597) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
PubChem CID55511597
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
SMILESCC(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C21H24N4O3/c1-14(19(26)25-21(28)22-13-15-5-3-2-4-6-15)23-17-9-7-16(8-10-17)20(27)24-18-11-12-18/h2-10,14,18,23H,11-13H2,1H3,(H,24,27)(H2,22,25,26,28)
InChIKeyUBICVDVTSKAPOS-UHFFFAOYSA-N
XLogP2.41
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide
CID 25329518
4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 55511124
N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide
CID 55511588
N-benzyl-2-(4-tert-butylanilino)propanamide
CID 134062813
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
4-benzyl-N-cyclopropylbenzamide
CID 45086871
N-cyclopropyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43687524
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
N-cyclopropyl-4-[1-(furan-2-yl)propylamino]benzamide
CID 62631452

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide (CID 55511597) is 4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide is CC(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of 4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide?
The InChIKey is UBICVDVTSKAPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(19(26)25-21(28)22-13-15-5-3-2-4-6-15)23-17-9-7-16(8-10-17)20(27)24-18-11-12-18/h2-10,14,18,23H,11-13H2,1H3,(H,24,27)(H2,22,25,26,28).
What are the key properties of 4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide?
4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide has a molecular weight of 380.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 55511597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).