2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide

C17H25N3O — CID 61235743

IUPAC2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2C3CCC2CC(N)C3)cc1
InChIInChI=1S/C17H25N3O/c1-12-2-4-13(5-3-12)10-19-17(21)11-20-15-6-7-16(20)9-14(18)8-15/h2-5,14-16H,6-11,18H2,1H3,(H,19,21)
InChIKeyWUVAIVVQLBPVOG-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.57
Rot. Bonds4

About 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 61235743) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID61235743
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2C3CCC2CC(N)C3)cc1
InChIInChI=1S/C17H25N3O/c1-12-2-4-13(5-3-12)10-19-17(21)11-20-15-6-7-16(20)9-14(18)8-15/h2-5,14-16H,6-11,18H2,1H3,(H,19,21)
InChIKeyWUVAIVVQLBPVOG-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110754744
2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616915
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 87022512
4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 92925458
2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 114395245
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
2-[(4-aminocyclohexyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 79113304
4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
CID 43642445
N-(3-aminocyclobutyl)-2-(4-methylphenyl)acetamide
CID 43594870
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 61235743) is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2C3CCC2CC(N)C3)cc1.
What is the InChIKey of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is WUVAIVVQLBPVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-2-4-13(5-3-12)10-19-17(21)11-20-15-6-7-16(20)9-14(18)8-15/h2-5,14-16H,6-11,18H2,1H3,(H,19,21).
What are the key properties of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 287.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 61235743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).