2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide

C15H24N4O2 — CID 43089232

IUPAC2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCCN(C)c1ccccc1
InChIInChI=1S/C15H24N4O2/c1-12(14(20)18-15(21)16-2)17-10-7-11-19(3)13-8-5-4-6-9-13/h4-6,8-9,12,17H,7,10-11H2,1-3H3,(H2,16,18,20,21)
InChIKeyQGSWCRKOWVWEIX-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.95
Rot. Bonds7

About 2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide

2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 43089232) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide
PubChem CID43089232
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCCN(C)c1ccccc1
InChIInChI=1S/C15H24N4O2/c1-12(14(20)18-15(21)16-2)17-10-7-11-19(3)13-8-5-4-6-9-13/h4-6,8-9,12,17H,7,10-11H2,1-3H3,(H2,16,18,20,21)
InChIKeyQGSWCRKOWVWEIX-UHFFFAOYSA-N
XLogP0.95
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide
CID 43089243
2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43084265
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide
CID 43089244
3-[3-(N-methylanilino)propylamino]butanoic acid
CID 43536640
2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide
CID 43089029
2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide
CID 107851798
N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 43192316
2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide
CID 43084409
2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine
CID 103387090
3-(N-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]anilino)propanoic acid
CID 60840258
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070

Frequently Asked Questions

What is the IUPAC name of 2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide (CID 43089232) is 2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NCCCN(C)c1ccccc1.
What is the InChIKey of 2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is QGSWCRKOWVWEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(14(20)18-15(21)16-2)17-10-7-11-19(3)13-8-5-4-6-9-13/h4-6,8-9,12,17H,7,10-11H2,1-3H3,(H2,16,18,20,21).
What are the key properties of 2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide?
2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43089232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).