2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide

C10H17N3O — CID 115158043

IUPAC2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
SMILESCCNCC(=O)NCCc1cc[nH]c1
InChIInChI=1S/C10H17N3O/c1-2-11-8-10(14)13-6-4-9-3-5-12-7-9/h3,5,7,11-12H,2,4,6,8H2,1H3,(H,13,14)
InChIKeyMFCWHIUZWCYYIL-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.28
Rot. Bonds6

About 2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide

2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide (PubChem CID 115158043) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
PubChem CID115158043
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
SMILESCCNCC(=O)NCCc1cc[nH]c1
InChIInChI=1S/C10H17N3O/c1-2-11-8-10(14)13-6-4-9-3-5-12-7-9/h3,5,7,11-12H,2,4,6,8H2,1H3,(H,13,14)
InChIKeyMFCWHIUZWCYYIL-UHFFFAOYSA-N
XLogP0.28
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115176543
N-ethyl-2-(1H-pyrrol-3-yl)ethanamine
CID 82490381
3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115162634
N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
CID 115158005
2-(1H-pyrrol-3-yl)ethylurea
CID 115168515
N-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl chloride
CID 115194921
N-butyl-4-(1H-pyrrol-3-yl)butanamide
CID 166152898
2-(ethylamino)-N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 115158053
2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789370
2-(2-methoxyphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789371
2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789402
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide (CID 115158043) is 2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide is CCNCC(=O)NCCc1cc[nH]c1.
What is the InChIKey of 2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide?
The InChIKey is MFCWHIUZWCYYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-11-8-10(14)13-6-4-9-3-5-12-7-9/h3,5,7,11-12H,2,4,6,8H2,1H3,(H,13,14).
What are the key properties of 2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide?
2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide has a molecular weight of 195.27 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide is sourced from PubChem (CID 115158043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).