N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide

C14H28N6O2 — CID 18183018

IUPACN',N'-bis(1-imidazolidin-1-ylpropyl)oxamide
SMILESCCC(N1CCNC1)N(C(=O)C(N)=O)C(CC)N1CCNC1
InChIInChI=1S/C14H28N6O2/c1-3-11(18-7-5-16-9-18)20(14(22)13(15)21)12(4-2)19-8-6-17-10-19/h11-12,16-17H,3-10H2,1-2H3,(H2,15,21)
InChIKeyCFADWHYTWVZIBX-UHFFFAOYSA-N
MW312.42 g/mol
LogP-1.50
Rot. Bonds6

About N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide

N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide (PubChem CID 18183018) has the molecular formula C14H28N6O2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN',N'-bis(1-imidazolidin-1-ylpropyl)oxamide
PubChem CID18183018
Molecular FormulaC14H28N6O2
Molecular Weight312.42 g/mol
Exact Mass312.23
IUPAC NameN',N'-bis(1-imidazolidin-1-ylpropyl)oxamide
SMILESCCC(N1CCNC1)N(C(=O)C(N)=O)C(CC)N1CCNC1
InChIInChI=1S/C14H28N6O2/c1-3-11(18-7-5-16-9-18)20(14(22)13(15)21)12(4-2)19-8-6-17-10-19/h11-12,16-17H,3-10H2,1-2H3,(H2,15,21)
InChIKeyCFADWHYTWVZIBX-UHFFFAOYSA-N
XLogP-1.50
TPSA93.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-methyl-2-piperazin-1-ylpentanoate
CID 61319359
methyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319155
3-piperazin-1-ylpentan-2-one
CID 68969032
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
3-hydroxy-2-piperazin-1-ylbutanamide
CID 66898165
1-[1-(oxiran-2-yl)butan-2-yl]imidazolidine
CID 173036027
2,2-di(piperazin-1-yl)acetamide
CID 57104434
2-ethoxy-2-imidazolidin-1-ylethanol
CID 174867587
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431
2-[methyl(2-piperazin-1-ylethyl)amino]butanamide
CID 63266206
methyl 2-(1,4-diazepan-1-yl)pentanoate
CID 60993244
ethyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319156

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide?
The IUPAC name of N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide (CID 18183018) is N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide.
What is the SMILES notation for N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide?
The canonical SMILES for N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide is CCC(N1CCNC1)N(C(=O)C(N)=O)C(CC)N1CCNC1.
What is the InChIKey of N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide?
The InChIKey is CFADWHYTWVZIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O2/c1-3-11(18-7-5-16-9-18)20(14(22)13(15)21)12(4-2)19-8-6-17-10-19/h11-12,16-17H,3-10H2,1-2H3,(H2,15,21).
What are the key properties of N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide?
N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide has a molecular weight of 312.42 g/mol, XLogP of -1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(1-imidazolidin-1-ylpropyl)oxamide is sourced from PubChem (CID 18183018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).