propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

C15H23N3O4 — CID 30597236

IUPACpropan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCC(=O)NCCNC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C
InChIInChI=1S/C15H23N3O4/c1-8(2)22-15(21)12-9(3)13(18-10(12)4)14(20)17-7-6-16-11(5)19/h8,18H,6-7H2,1-5H3,(H,16,19)(H,17,20)
InChIKeyRNSAZCJUJGYLDH-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.06
Rot. Bonds6

About propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 30597236) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID30597236
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Namepropan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCC(=O)NCCNC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C
InChIInChI=1S/C15H23N3O4/c1-8(2)22-15(21)12-9(3)13(18-10(12)4)14(20)17-7-6-16-11(5)19/h8,18H,6-7H2,1-5H3,(H,16,19)(H,17,20)
InChIKeyRNSAZCJUJGYLDH-UHFFFAOYSA-N
XLogP1.06
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 5-(2-methoxyethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17393738
propan-2-yl 2,4-dimethyl-5-(3-phenylsulfanylpropylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 27828660
propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55835250
propan-2-yl 5-[[4-(diethylaminomethyl)phenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 26958702
propan-2-yl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 47798344
propan-2-yl 5-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27710532
propan-2-yl 5-(1-adamantylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 35809187
propan-2-yl 2,4-dimethyl-5-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 17436226
propan-2-yl 5-[(5-acetamido-2-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 36554284
methyl 5-[2-(diethylamino)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 29368914
propan-2-yl 5-[(3-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27167428
propan-2-yl 5-[(3-chloro-2-methylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 26720466

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 30597236) is propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is CC(=O)NCCNC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C.
What is the InChIKey of propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is RNSAZCJUJGYLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-8(2)22-15(21)12-9(3)13(18-10(12)4)14(20)17-7-6-16-11(5)19/h8,18H,6-7H2,1-5H3,(H,16,19)(H,17,20).
What are the key properties of propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 30597236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).