2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide

C15H25N3O — CID 66405385

IUPAC2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCC(C)(C)NCc1ccn(CC(=O)NCC2CC2)c1
InChIInChI=1S/C15H25N3O/c1-15(2,3)17-9-13-6-7-18(10-13)11-14(19)16-8-12-4-5-12/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3,(H,16,19)
InChIKeyWXUBIWBMHNVNAF-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.90
Rot. Bonds6

About 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide

2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 66405385) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID66405385
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCC(C)(C)NCc1ccn(CC(=O)NCC2CC2)c1
InChIInChI=1S/C15H25N3O/c1-15(2,3)17-9-13-6-7-18(10-13)11-14(19)16-8-12-4-5-12/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3,(H,16,19)
InChIKeyWXUBIWBMHNVNAF-UHFFFAOYSA-N
XLogP1.90
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)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-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide
CID 79107389
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404152
2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 79104875
N-(cyclopropylmethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79105595
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide
CID 66406597
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66404151
N-methyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide
CID 66404281
methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate
CID 66404148
N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404977
N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 103411288
N-(cyclopropylmethyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624363
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide (CID 66405385) is 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide is CC(C)(C)NCc1ccn(CC(=O)NCC2CC2)c1.
What is the InChIKey of 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is WXUBIWBMHNVNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)17-9-13-6-7-18(10-13)11-14(19)16-8-12-4-5-12/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3,(H,16,19).
What are the key properties of 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 66405385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).