2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide

C12H20N4O2 — CID 138391065

IUPAC2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1CC(=O)NCCC
InChIInChI=1S/C12H20N4O2/c1-2-5-14-10(17)6-9-11(13)15-12(18)16(9)7-8-3-4-8/h8-9H,2-7H2,1H3,(H,14,17)(H2,13,15,18)
InChIKeyHIKPCGTTYXCQNZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.68
Rot. Bonds6

About 2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide

2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide (PubChem CID 138391065) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide
PubChem CID138391065
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1CC(=O)NCCC
InChIInChI=1S/C12H20N4O2/c1-2-5-14-10(17)6-9-11(13)15-12(18)16(9)7-8-3-4-8/h8-9H,2-7H2,1H3,(H,14,17)(H2,13,15,18)
InChIKeyHIKPCGTTYXCQNZ-UHFFFAOYSA-N
XLogP0.68
TPSA85.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-imino-2-oxo-3-propan-2-ylimidazolidin-4-yl)-N-propan-2-ylacetamide
CID 138390417
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332
5-cyclobutyl-4-imino-1-propylimidazolidin-2-one
CID 138391173
2-cyclopropyl-N-pentylacetamide
CID 66755217
3-[(2-cyclopentylacetyl)amino]-N-propylpropanamide
CID 167068164
3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide
CID 64612461
2-cyclopropyl-N-[2-(ethylamino)ethyl]acetamide
CID 62659717
3-cyclopentyl-N-[2-(propylamino)ethyl]propanamide
CID 62658625
2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-propylacetamide
CID 114433638
4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one
CID 138391425
2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide
CID 114626915
3-oxo-2-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]-2,4-dihydroquinoxaline-1-sulfinic acid
CID 21027828

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide?
The IUPAC name of 2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide (CID 138391065) is 2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide.
What is the SMILES notation for 2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide?
The canonical SMILES for 2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide is [H]/N=C1\NC(=O)N(CC2CC2)C1CC(=O)NCCC.
What is the InChIKey of 2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide?
The InChIKey is HIKPCGTTYXCQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-5-14-10(17)6-9-11(13)15-12(18)16(9)7-8-3-4-8/h8-9H,2-7H2,1H3,(H,14,17)(H2,13,15,18).
What are the key properties of 2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide?
2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide has a molecular weight of 252.32 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide is sourced from PubChem (CID 138391065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).