N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide

C19H28N4O3 — CID 55796342

IUPACN-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)NC2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C19H28N4O3/c1-4-20-17(24)14-5-7-15(8-6-14)21-19(26)22-16-9-11-23(12-10-16)18(25)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H,20,24)(H2,21,22,26)
InChIKeyCETVYDWWRPMUGK-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.20
Rot. Bonds5

About N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide

N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide (PubChem CID 55796342) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide
PubChem CID55796342
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)NC2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C19H28N4O3/c1-4-20-17(24)14-5-7-15(8-6-14)21-19(26)22-16-9-11-23(12-10-16)18(25)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H,20,24)(H2,21,22,26)
InChIKeyCETVYDWWRPMUGK-UHFFFAOYSA-N
XLogP2.20
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide 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

4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222
N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43728511
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
4-tert-butyl-N-[3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 32541124
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119734475
2-[4-[4-(cyclopropylcarbamoylamino)benzoyl]piperazin-1-yl]-N-ethylacetamide
CID 55829505
1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71680197
N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide?
The IUPAC name of N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide (CID 55796342) is N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide.
What is the SMILES notation for N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide?
The canonical SMILES for N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide is CCNC(=O)c1ccc(NC(=O)NC2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide?
The InChIKey is CETVYDWWRPMUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-4-20-17(24)14-5-7-15(8-6-14)21-19(26)22-16-9-11-23(12-10-16)18(25)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H,20,24)(H2,21,22,26).
What are the key properties of N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide?
N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide has a molecular weight of 360.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide is sourced from PubChem (CID 55796342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).