N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide

C11H17N3O — CID 115968377

IUPACN-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide
SMILESO=C(CNCc1cc[nH]c1)NCC1CC1
InChIInChI=1S/C11H17N3O/c15-11(14-7-9-1-2-9)8-13-6-10-3-4-12-5-10/h3-5,9,12-13H,1-2,6-8H2,(H,14,15)
InChIKeyWKDKKJAAGXGBJV-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.63
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide

N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide (PubChem CID 115968377) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide
PubChem CID115968377
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide
SMILESO=C(CNCc1cc[nH]c1)NCC1CC1
InChIInChI=1S/C11H17N3O/c15-11(14-7-9-1-2-9)8-13-6-10-3-4-12-5-10/h3-5,9,12-13H,1-2,6-8H2,(H,14,15)
InChIKeyWKDKKJAAGXGBJV-UHFFFAOYSA-N
XLogP0.63
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115686109
2-(cyclopropylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384770
2-cyclobutyl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385129
2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide
CID 60720069
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 114181942
4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide
CID 115151200
1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66410289
2-piperidin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384935
3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66407185
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 66409208
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide
CID 60976730

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide (CID 115968377) is N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide is O=C(CNCc1cc[nH]c1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide?
The InChIKey is WKDKKJAAGXGBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11(14-7-9-1-2-9)8-13-6-10-3-4-12-5-10/h3-5,9,12-13H,1-2,6-8H2,(H,14,15).
What are the key properties of N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide?
N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide has a molecular weight of 207.28 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(1H-pyrrol-3-ylmethylamino)acetamide is sourced from PubChem (CID 115968377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).