3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide

C15H22N4O4 — CID 136537997

IUPAC3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide
SMILESO=C1CN(C(=O)NCCCN2C(=O)CCC2=O)CN1CC1CC1
InChIInChI=1S/C15H22N4O4/c20-12-4-5-13(21)19(12)7-1-6-16-15(23)18-9-14(22)17(10-18)8-11-2-3-11/h11H,1-10H2,(H,16,23)
InChIKeyIITRFSJEFIUTTH-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.25
Rot. Bonds6

About 3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide

3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide (PubChem CID 136537997) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide
PubChem CID136537997
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide
SMILESO=C1CN(C(=O)NCCCN2C(=O)CCC2=O)CN1CC1CC1
InChIInChI=1S/C15H22N4O4/c20-12-4-5-13(21)19(12)7-1-6-16-15(23)18-9-14(22)17(10-18)8-11-2-3-11/h11H,1-10H2,(H,16,23)
InChIKeyIITRFSJEFIUTTH-UHFFFAOYSA-N
XLogP-0.25
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride
CID 119777904
N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 47021847
(3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide
CID 95270738
(2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide
CID 136582087
(3R)-1-cyclopentyl-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 95283558
5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 167931670
N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17035020
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 166992011
1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 95612311
3-methyl-N-(2-morpholin-4-ylethyl)-4-oxoimidazolidine-1-carboxamide
CID 75453186
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide
CID 126759394
4-[(3-oxo-4-propyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122022698

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of 3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide (CID 136537997) is 3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for 3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide is O=C1CN(C(=O)NCCCN2C(=O)CCC2=O)CN1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide?
The InChIKey is IITRFSJEFIUTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c20-12-4-5-13(21)19(12)7-1-6-16-15(23)18-9-14(22)17(10-18)8-11-2-3-11/h11H,1-10H2,(H,16,23).
What are the key properties of 3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide?
3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of -0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 136537997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).