N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide

C22H30N4O2 — CID 52594655

IUPACN,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)NCCCN(C)c2ccccc2)cc1
InChIInChI=1S/C22H30N4O2/c1-4-26(5-2)21(27)18-12-14-19(15-13-18)24-22(28)23-16-9-17-25(3)20-10-7-6-8-11-20/h6-8,10-15H,4-5,9,16-17H2,1-3H3,(H2,23,24,28)
InChIKeyFNKQJJNTLFBRMY-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.82
Rot. Bonds9

About N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide

N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide (PubChem CID 52594655) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide
PubChem CID52594655
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)NCCCN(C)c2ccccc2)cc1
InChIInChI=1S/C22H30N4O2/c1-4-26(5-2)21(27)18-12-14-19(15-13-18)24-22(28)23-16-9-17-25(3)20-10-7-6-8-11-20/h6-8,10-15H,4-5,9,16-17H2,1-3H3,(H2,23,24,28)
InChIKeyFNKQJJNTLFBRMY-UHFFFAOYSA-N
XLogP3.82
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]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

N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide
CID 78821680
1-(3-bromophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543075
1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea
CID 60616962
1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 51290296
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705311
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 3822405
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 55437961
1-[3-(N-methylanilino)propyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100742853
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-[3-(N-methylanilino)propyl]urea
CID 52665262
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide?
The IUPAC name of N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide (CID 52594655) is N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide?
The canonical SMILES for N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)NCCCN(C)c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide?
The InChIKey is FNKQJJNTLFBRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-4-26(5-2)21(27)18-12-14-19(15-13-18)24-22(28)23-16-9-17-25(3)20-10-7-6-8-11-20/h6-8,10-15H,4-5,9,16-17H2,1-3H3,(H2,23,24,28).
What are the key properties of N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide?
N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide has a molecular weight of 382.51 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide is sourced from PubChem (CID 52594655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).