3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide

C12H21N5O3 — CID 3024600

IUPAC3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide
SMILESC=CC(=O)NCNC(=O)CCNCCN1CCNC1=O
InChIInChI=1S/C12H21N5O3/c1-2-10(18)15-9-16-11(19)3-4-13-5-7-17-8-6-14-12(17)20/h2,13H,1,3-9H2,(H,14,20)(H,15,18)(H,16,19)
InChIKeyAZVSESGSBWESMH-UHFFFAOYSA-N
MW283.33 g/mol
LogP-1.63
Rot. Bonds9

About 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide

3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide (PubChem CID 3024600) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide
PubChem CID3024600
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide
SMILESC=CC(=O)NCNC(=O)CCNCCN1CCNC1=O
InChIInChI=1S/C12H21N5O3/c1-2-10(18)15-9-16-11(19)3-4-13-5-7-17-8-6-14-12(17)20/h2,13H,1,3-9H2,(H,14,20)(H,15,18)(H,16,19)
InChIKeyAZVSESGSBWESMH-UHFFFAOYSA-N
XLogP-1.63
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Propenamide, N,N'-[(2-oxo-1,3-imidazolidinediyl)bis(methylene)]bis-
CID 88051
1-Acryloylimidazolidin-2-one
CID 14273533
N-(2-(2-Oxoimidazolidin-1-yl)ethyl)acrylamide
CID 76532
N-((2-Oxoimidazolidin-1-yl)methyl)acrylamide
CID 3021104
Acrylamidomethyl 2-oxopyrrolidine
CID 18414899
N-[[3-[(prop-2-enoylamino)methyl]imidazolidin-1-yl]methyl]prop-2-enamide
CID 20464897
N-[2-(aminomethylamino)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 21135498
N-[2-[3-(methoxymethyl)-2-oxoimidazolidin-1-yl]ethyl]prop-2-enamide
CID 21496812
N-[1-(2-oxoimidazolidin-1-yl)ethyl]prop-2-enamide
CID 21716074
N-[5-methyl-2-oxo-4-(prop-2-enoylamino)imidazolidin-4-yl]prop-2-enamide
CID 54342910
N-[2-(2-oxoimidazolidin-4-yl)ethyl]prop-2-enamide
CID 54526986
N-[[3-[bis(prop-2-enoylamino)methyl]-2-oxo-3-[(prop-2-enoylamino)methyl]imidazolidin-3-ium-1-yl]methyl]prop-2-enamide
CID 57187004

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide?
The IUPAC name of 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide (CID 3024600) is 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide.
What is the SMILES notation for 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide?
The canonical SMILES for 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide is C=CC(=O)NCNC(=O)CCNCCN1CCNC1=O.
What is the InChIKey of 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide?
The InChIKey is AZVSESGSBWESMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-2-10(18)15-9-16-11(19)3-4-13-5-7-17-8-6-14-12(17)20/h2,13H,1,3-9H2,(H,14,20)(H,15,18)(H,16,19).
What are the key properties of 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide?
3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide has a molecular weight of 283.33 g/mol, XLogP of -1.63, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide is sourced from PubChem (CID 3024600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).