2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide

C12H16N2O2 — CID 82237533

IUPAC2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)C1CC1N
InChIInChI=1S/C12H16N2O2/c1-14(12(16)10-6-11(10)13)7-8-3-2-4-9(15)5-8/h2-5,10-11,15H,6-7,13H2,1H3
InChIKeyHBAYESCVRUJERP-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.70
Rot. Bonds3

About 2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide

2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 82237533) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID82237533
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)C1CC1N
InChIInChI=1S/C12H16N2O2/c1-14(12(16)10-6-11(10)13)7-8-3-2-4-9(15)5-8/h2-5,10-11,15H,6-7,13H2,1H3
InChIKeyHBAYESCVRUJERP-UHFFFAOYSA-N
XLogP0.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237531
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2-amino-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237360
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
CID 113416227
2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 114997651
3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161620
3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide
CID 96559788
N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 55141357
(2S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylbutanamide
CID 61164005
N-[(3-hydroxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60954154
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 79610332

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide (CID 82237533) is 2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide is CN(Cc1cccc(O)c1)C(=O)C1CC1N.
What is the InChIKey of 2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is HBAYESCVRUJERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(12(16)10-6-11(10)13)7-8-3-2-4-9(15)5-8/h2-5,10-11,15H,6-7,13H2,1H3.
What are the key properties of 2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 82237533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).