2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide

C16H24N2O — CID 115056137

IUPAC2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cc1ccccc1CC1(N)CC1
InChIInChI=1S/C16H24N2O/c1-15(2,3)18-14(19)10-12-6-4-5-7-13(12)11-16(17)8-9-16/h4-7H,8-11,17H2,1-3H3,(H,18,19)
InChIKeyBVBNMFRJSKAUNI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.18
Rot. Bonds4

About 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide

2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide (PubChem CID 115056137) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide
PubChem CID115056137
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cc1ccccc1CC1(N)CC1
InChIInChI=1S/C16H24N2O/c1-15(2,3)18-14(19)10-12-6-4-5-7-13(12)11-16(17)8-9-16/h4-7H,8-11,17H2,1-3H3,(H,18,19)
InChIKeyBVBNMFRJSKAUNI-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide
CID 115039045
methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate
CID 115031363
[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489138
N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 65109576
N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride
CID 119259809
2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
CID 113315023
1-N'-tert-butyl-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975673
1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
CID 23106132
N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 8768478
N-tert-butyl-3-(2-ethylanilino)propanamide
CID 109031330
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide?
The IUPAC name of 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide (CID 115056137) is 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide?
The canonical SMILES for 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide is CC(C)(C)NC(=O)Cc1ccccc1CC1(N)CC1.
What is the InChIKey of 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide?
The InChIKey is BVBNMFRJSKAUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(2,3)18-14(19)10-12-6-4-5-7-13(12)11-16(17)8-9-16/h4-7H,8-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide?
2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide has a molecular weight of 260.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide is sourced from PubChem (CID 115056137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).