3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide

C13H18N4O3 — CID 106385438

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)NCc2cc[nH]c2)C1=O
InChIInChI=1S/C13H18N4O3/c1-13(2)11(19)17(12(20)16-13)6-4-10(18)15-8-9-3-5-14-7-9/h3,5,7,14H,4,6,8H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyYXDATLQVXXHYDA-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.35
Rot. Bonds5

About 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 106385438) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID106385438
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)NCc2cc[nH]c2)C1=O
InChIInChI=1S/C13H18N4O3/c1-13(2)11(19)17(12(20)16-13)6-4-10(18)15-8-9-3-5-14-7-9/h3,5,7,14H,4,6,8H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyYXDATLQVXXHYDA-UHFFFAOYSA-N
XLogP0.35
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385844
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 46814950
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 24515994
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825428
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114182021
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-imidazol-2-yl)propanamide
CID 63563497
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 40795155

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 106385438) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide is CC1(C)NC(=O)N(CCC(=O)NCc2cc[nH]c2)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is YXDATLQVXXHYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-13(2)11(19)17(12(20)16-13)6-4-10(18)15-8-9-3-5-14-7-9/h3,5,7,14H,4,6,8H2,1-2H3,(H,15,18)(H,16,20).
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 278.31 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 106385438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).