2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide

C13H23N3O2 — CID 79099906

IUPAC2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nn1c(C)ccc1C
InChIInChI=1S/C13H23N3O2/c1-10-6-7-11(2)16(10)15-12(3)13(17)14-8-5-9-18-4/h6-7,12,15H,5,8-9H2,1-4H3,(H,14,17)
InChIKeyVRFZKSJAHPTEAL-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.19
Rot. Bonds7

About 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide

2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide (PubChem CID 79099906) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide
PubChem CID79099906
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nn1c(C)ccc1C
InChIInChI=1S/C13H23N3O2/c1-10-6-7-11(2)16(10)15-12(3)13(17)14-8-5-9-18-4/h6-7,12,15H,5,8-9H2,1-4H3,(H,14,17)
InChIKeyVRFZKSJAHPTEAL-UHFFFAOYSA-N
XLogP1.19
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
CID 110688767
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide
CID 112724062
N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537426
2-(4-acetamidoanilino)-N-(3-methoxypropyl)propanamide
CID 43112708
2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
CID 61473681
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide
CID 107804570
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide
CID 105058024
2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 43122831
N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide
CID 43524055

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide (CID 79099906) is 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Nn1c(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide?
The InChIKey is VRFZKSJAHPTEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10-6-7-11(2)16(10)15-12(3)13(17)14-8-5-9-18-4/h6-7,12,15H,5,8-9H2,1-4H3,(H,14,17).
What are the key properties of 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide?
2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide has a molecular weight of 253.35 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 79099906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).