N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide

C10H15N3O2 — CID 110769164

IUPACN-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide
SMILESCC(=O)NCCNC(=O)Cc1cc[nH]c1
InChIInChI=1S/C10H15N3O2/c1-8(14)12-4-5-13-10(15)6-9-2-3-11-7-9/h2-3,7,11H,4-6H2,1H3,(H,12,14)(H,13,15)
InChIKeyQLPQQGXUMVQPEY-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.19
Rot. Bonds5

About N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide

N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide (PubChem CID 110769164) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide
PubChem CID110769164
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide
SMILESCC(=O)NCCNC(=O)Cc1cc[nH]c1
InChIInChI=1S/C10H15N3O2/c1-8(14)12-4-5-13-10(15)6-9-2-3-11-7-9/h2-3,7,11H,4-6H2,1H3,(H,12,14)(H,13,15)
InChIKeyQLPQQGXUMVQPEY-UHFFFAOYSA-N
XLogP-0.19
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769094
3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115176543
N-(2-acetamidoethyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 144547616
N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769107
2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789402
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 115158043
N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide
CID 115686119
N-butyl-4-(1H-pyrrol-3-yl)butanamide
CID 166152898
3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115162634
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769236

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide (CID 110769164) is N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide is CC(=O)NCCNC(=O)Cc1cc[nH]c1.
What is the InChIKey of N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide?
The InChIKey is QLPQQGXUMVQPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8(14)12-4-5-13-10(15)6-9-2-3-11-7-9/h2-3,7,11H,4-6H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide?
N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide has a molecular weight of 209.25 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 110769164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).