N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide

C12H19N3O2 — CID 110700711

IUPACN-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide
SMILESCC(=O)NCCNC(=O)CCc1cccn1C
InChIInChI=1S/C12H19N3O2/c1-10(16)13-7-8-14-12(17)6-5-11-4-3-9-15(11)2/h3-4,9H,5-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyKNUGUQRITDREII-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.21
Rot. Bonds6

About N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide

N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide (PubChem CID 110700711) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide
PubChem CID110700711
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide
SMILESCC(=O)NCCNC(=O)CCc1cccn1C
InChIInChI=1S/C12H19N3O2/c1-10(16)13-7-8-14-12(17)6-5-11-4-3-9-15(11)2/h3-4,9H,5-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyKNUGUQRITDREII-UHFFFAOYSA-N
XLogP0.21
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
(2Z)-N-[2-(diethylamino)ethyl]-2-(hydroxyimino)-2-(pyridin-2-yl)ethanamide
CID 135455169
2-cyclohexyl-N-(pyridin-2-ylmethyl)acetamide
CID 806688
1-cyclopentyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3618799
N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide
CID 12988036
N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 823612
N-(cyclohexylmethyl)-1-methylpyrrole-2-carboxamide
CID 24819634
(2S)-2-amino-N-[4-(1H-pyrrol-1-yl)phenyl]pentanediamide
CID 24901612
1-Pyridin-2-ylmethyl-piperidine-4-carboxylic acid butylamide
CID 3151179
N-butan-2-yl-3-phenyl-2-pyrrol-1-ylpropanamide
CID 5309925

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide (CID 110700711) is N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide is CC(=O)NCCNC(=O)CCc1cccn1C.
What is the InChIKey of N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide?
The InChIKey is KNUGUQRITDREII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10(16)13-7-8-14-12(17)6-5-11-4-3-9-15(11)2/h3-4,9H,5-8H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide?
N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide has a molecular weight of 237.30 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide is sourced from PubChem (CID 110700711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).