N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide

C20H27N3O — CID 113250333

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C20H27N3O/c1-19(2)17(21)20(3,4)18(19)22-16(24)15-11-8-12-23(15)13-14-9-6-5-7-10-14/h5-12,17-18H,13,21H2,1-4H3,(H,22,24)
InChIKeySFMABQMUYQIUAC-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.03
Rot. Bonds4

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide (PubChem CID 113250333) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide
PubChem CID113250333
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C20H27N3O/c1-19(2)17(21)20(3,4)18(19)22-16(24)15-11-8-12-23(15)13-14-9-6-5-7-10-14/h5-12,17-18H,13,21H2,1-4H3,(H,22,24)
InChIKeySFMABQMUYQIUAC-UHFFFAOYSA-N
XLogP3.03
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-methoxypyrrole-2-carboxamide
CID 52568041
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610515
1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
CID 146154244
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 107422969
methyl (3S)-3-[(1-benzylpyrrole-2-carbonyl)amino]butanoate
CID 95933774
N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 79711659
1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide
CID 62665454
N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide
CID 114383386
1-[(4-chlorophenyl)methyl]pyrrole-2-carbohydrazide
CID 24711857
1-benzyl-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrole-2-carboxamide
CID 55620017

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide (CID 113250333) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide is CC1(C)C(N)C(C)(C)C1NC(=O)c1cccn1Cc1ccccc1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide?
The InChIKey is SFMABQMUYQIUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-19(2)17(21)20(3,4)18(19)22-16(24)15-11-8-12-23(15)13-14-9-6-5-7-10-14/h5-12,17-18H,13,21H2,1-4H3,(H,22,24).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide is sourced from PubChem (CID 113250333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).