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

C9H20N4O2 — CID 43086025

IUPACN-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide
SMILESCC(NCCCN(C)C)C(=O)NC(N)=O
InChIInChI=1S/C9H20N4O2/c1-7(8(14)12-9(10)15)11-5-4-6-13(2)3/h7,11H,4-6H2,1-3H3,(H3,10,12,14,15)
InChIKeyPUZTWMIQCBBENT-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.89
Rot. Bonds6

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

N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide (PubChem CID 43086025) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide
PubChem CID43086025
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC NameN-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide
SMILESCC(NCCCN(C)C)C(=O)NC(N)=O
InChIInChI=1S/C9H20N4O2/c1-7(8(14)12-9(10)15)11-5-4-6-13(2)3/h7,11H,4-6H2,1-3H3,(H3,10,12,14,15)
InChIKeyPUZTWMIQCBBENT-UHFFFAOYSA-N
XLogP-0.89
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.89
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-[methyl(propan-2-yl)amino]propylamino]propanamide
CID 106045951
N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786
2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43084265
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473366
N-carbamoyl-2-[2-[di(propan-2-yl)amino]ethylamino]propanamide
CID 43086354
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671920
N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine
CID 126690242
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495
[3-(dimethylamino)propylamino]urea
CID 118451247
N-carbamoyl-2-methylpropanamide
CID 541584
(2R)-2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)propanamide
CID 7437364
N-carbamoyl-2-(2,3-dimethylbutylamino)propanamide
CID 64569124

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide?
The IUPAC name of N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide (CID 43086025) is N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide?
The canonical SMILES for N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide is CC(NCCCN(C)C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide?
The InChIKey is PUZTWMIQCBBENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-7(8(14)12-9(10)15)11-5-4-6-13(2)3/h7,11H,4-6H2,1-3H3,(H3,10,12,14,15).
What are the key properties of N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide?
N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide has a molecular weight of 216.28 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide is sourced from PubChem (CID 43086025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).