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

C10H22N4O2 — CID 43084265

IUPAC2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCCN(C)C
InChIInChI=1S/C10H22N4O2/c1-8(9(15)13-10(16)11-2)12-6-5-7-14(3)4/h8,12H,5-7H2,1-4H3,(H2,11,13,15,16)
InChIKeyPJJGBDKYPIQEBO-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.63
Rot. Bonds6

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

2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 43084265) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide
PubChem CID43084265
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCCN(C)C
InChIInChI=1S/C10H22N4O2/c1-8(9(15)13-10(16)11-2)12-6-5-7-14(3)4/h8,12H,5-7H2,1-4H3,(H2,11,13,15,16)
InChIKeyPJJGBDKYPIQEBO-UHFFFAOYSA-N
XLogP-0.63
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.63
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

N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide
CID 43086025
2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide
CID 107851798
2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43089232
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83211432
N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide
CID 106045951
2-(2-cyclobutylethylamino)-N-(methylcarbamoyl)propanamide
CID 115688595
N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine
CID 126690242
N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786
N-(methylcarbamoyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 43402025
2-(cyclopropylmethylamino)-N-(methylcarbamoyl)propanamide
CID 43116558
2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide
CID 63826610

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide (CID 43084265) is 2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NCCCN(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is PJJGBDKYPIQEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-8(9(15)13-10(16)11-2)12-6-5-7-14(3)4/h8,12H,5-7H2,1-4H3,(H2,11,13,15,16).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide?
2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 230.31 g/mol, XLogP of -0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43084265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).