N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide

C15H24N4O2 — CID 119432618

IUPACN-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCNCCCNC(=O)c1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C15H24N4O2/c1-11(2)18-15(21)19-13-7-5-12(6-8-13)14(20)17-10-4-9-16-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,20)(H2,18,19,21)
InChIKeyTVXXLQMGMJRONF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.56
Rot. Bonds7

About N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide

N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 119432618) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide
PubChem CID119432618
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCNCCCNC(=O)c1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C15H24N4O2/c1-11(2)18-15(21)19-13-7-5-12(6-8-13)14(20)17-10-4-9-16-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,20)(H2,18,19,21)
InChIKeyTVXXLQMGMJRONF-UHFFFAOYSA-N
XLogP1.56
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)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-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid
CID 119168848
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55821516
4-(butylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180623
4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166611
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120653498
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
4-(propan-2-ylcarbamoylamino)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535262
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide (CID 119432618) is N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide is CNCCCNC(=O)c1ccc(NC(=O)NC(C)C)cc1.
What is the InChIKey of N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is TVXXLQMGMJRONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)18-15(21)19-13-7-5-12(6-8-13)14(20)17-10-4-9-16-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide?
N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.56, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 119432618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).