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

C14H23N3O — CID 66404152

IUPACN-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1ccc(CNC2CC2)c1
InChIInChI=1S/C14H23N3O/c1-14(2,3)16-13(18)10-17-7-6-11(9-17)8-15-12-4-5-12/h6-7,9,12,15H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyJNINQOFWEPETGJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.65
Rot. Bonds5

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

N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide (PubChem CID 66404152) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
PubChem CID66404152
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1ccc(CNC2CC2)c1
InChIInChI=1S/C14H23N3O/c1-14(2,3)16-13(18)10-17-7-6-11(9-17)8-15-12-4-5-12/h6-7,9,12,15H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyJNINQOFWEPETGJ-UHFFFAOYSA-N
XLogP1.65
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]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

methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate
CID 66404148
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66404151
N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404977
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66405369
N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66403930
N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66406741
3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
CID 66405366
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 66405385
N-methyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide
CID 66404281
4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine
CID 66416546
N-[[1-[(4-bromophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66406788
N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide
CID 107687996

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide (CID 66404152) is N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide is CC(C)(C)NC(=O)Cn1ccc(CNC2CC2)c1.
What is the InChIKey of N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide?
The InChIKey is JNINQOFWEPETGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)16-13(18)10-17-7-6-11(9-17)8-15-12-4-5-12/h6-7,9,12,15H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide?
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 66404152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).