2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide

C14H20N2O2 — CID 54873442

IUPAC2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1O)C(=O)CNCC1CC1
InChIInChI=1S/C14H20N2O2/c1-16(10-12-4-2-3-5-13(12)17)14(18)9-15-8-11-6-7-11/h2-5,11,15,17H,6-10H2,1H3
InChIKeyIFMWPBWCXGZICU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.35
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide

2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide (PubChem CID 54873442) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
PubChem CID54873442
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1O)C(=O)CNCC1CC1
InChIInChI=1S/C14H20N2O2/c1-16(10-12-4-2-3-5-13(12)17)14(18)9-15-8-11-6-7-11/h2-5,11,15,17H,6-10H2,1H3
InChIKeyIFMWPBWCXGZICU-UHFFFAOYSA-N
XLogP1.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)acetamide
CID 60936784
2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide
CID 54874331
2-(cyclopropylmethylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylacetamide;hydrochloride
CID 119694665
N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 60937097
2-(cyclopropylmethylamino)-N-methyl-N-phenylacetamide
CID 60842442
2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 119958237
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60867454
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60809822
2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 54872632
N-methyl-N-[(2-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681688
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119690320
2-(cyclopropylmethylamino)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylacetamide
CID 119766880

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide (CID 54873442) is 2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1O)C(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
The InChIKey is IFMWPBWCXGZICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(10-12-4-2-3-5-13(12)17)14(18)9-15-8-11-6-7-11/h2-5,11,15,17H,6-10H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 54873442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).