2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide

C14H23N3O — CID 66404151

IUPAC2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1ccc(CNC2CC2)c1
InChIInChI=1S/C14H23N3O/c1-11(2)7-16-14(18)10-17-6-5-12(9-17)8-15-13-3-4-13/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyWIKVGBFCNBPQSG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.51
Rot. Bonds7

About 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide

2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 66404151) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID66404151
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1ccc(CNC2CC2)c1
InChIInChI=1S/C14H23N3O/c1-11(2)7-16-14(18)10-17-6-5-12(9-17)8-15-13-3-4-13/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyWIKVGBFCNBPQSG-UHFFFAOYSA-N
XLogP1.51
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide 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

N-cycloheptyl-2-(1H-pyrrol-1-yl)acetamide
CID 3239634
(2S)-2-(2-oxo-4-pyrrol-1-ylpyrrolidin-1-yl)butanamide
CID 9834598
1-ethyl-5-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-pyrrolidinecarboxamide
CID 71980030
N-cyclopropyl-3-pyrrol-1-ylpropanamide
CID 45106935
1H-Pyrrole-1-acetamide
CID 19973177
N-(3-(1H-pyrrol-1-yl)propyl)acetamide
CID 57561805
2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide
CID 71980029
1-[(1-Methylpyrrol-3-yl)methyl]-3-pentan-2-ylurea
CID 72108583
1-isopropyl-N-[2-(1H-pyrrol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72920427
2-(1-isopropyl-4-piperidinyl)-N-[2-(1H-pyrrol-1-yl)ethyl]acetamide
CID 72926601
1-(Cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 96569199
(2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide
CID 141284199

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide (CID 66404151) is 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1ccc(CNC2CC2)c1.
What is the InChIKey of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is WIKVGBFCNBPQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)7-16-14(18)10-17-6-5-12(9-17)8-15-13-3-4-13/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 66404151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).