2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide

C13H16N4O3 — CID 119288680

IUPAC2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
SMILESCC(N)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C13H16N4O3/c1-8(14)12(19)16-10-4-2-3-9(5-10)7-17-11(18)6-15-13(17)20/h2-5,8H,6-7,14H2,1H3,(H,15,20)(H,16,19)
InChIKeyZCNAYVGEWJDJJV-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.02
Rot. Bonds4

About 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide

2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide (PubChem CID 119288680) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
PubChem CID119288680
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
SMILESCC(N)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C13H16N4O3/c1-8(14)12(19)16-10-4-2-3-9(5-10)7-17-11(18)6-15-13(17)20/h2-5,8H,6-7,14H2,1H3,(H,15,20)(H,16,19)
InChIKeyZCNAYVGEWJDJJV-UHFFFAOYSA-N
XLogP0.02
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119288695
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 55617134
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-(4-propan-2-ylphenyl)propanamide
CID 55853093
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride
CID 119722221
3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
CID 71889492
2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617163
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(2-ethylphenoxy)acetamide
CID 55617362
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
CID 119288678
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 43696854

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide (CID 119288680) is 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide is CC(N)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is ZCNAYVGEWJDJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8(14)12(19)16-10-4-2-3-9(5-10)7-17-11(18)6-15-13(17)20/h2-5,8H,6-7,14H2,1H3,(H,15,20)(H,16,19).
What are the key properties of 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide?
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 276.30 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 119288680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).