2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide

C15H22N2O2 — CID 54874331

IUPAC2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccccc1O)N(C)C(=O)CNCC1CC1
InChIInChI=1S/C15H22N2O2/c1-11(13-5-3-4-6-14(13)18)17(2)15(19)10-16-9-12-7-8-12/h3-6,11-12,16,18H,7-10H2,1-2H3
InChIKeyTZTGBDKOCTYTNW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide

2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide (PubChem CID 54874331) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide
PubChem CID54874331
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccccc1O)N(C)C(=O)CNCC1CC1
InChIInChI=1S/C15H22N2O2/c1-11(13-5-3-4-6-14(13)18)17(2)15(19)10-16-9-12-7-8-12/h3-6,11-12,16,18H,7-10H2,1-2H3
InChIKeyTZTGBDKOCTYTNW-UHFFFAOYSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.91
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

N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(thian-4-yl)acetamide
CID 82707409
2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 54873442
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364284
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide
CID 52539243
N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide
CID 60946925
2-(cyclopropylmethylamino)-N-methyl-N-phenylacetamide
CID 60842442
3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide
CID 62590459
2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 54916026
2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 119795542
2-(cyclopropylmethylamino)-N-methyl-N-pentan-2-ylacetamide
CID 60865827

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide (CID 54874331) is 2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide is CC(c1ccccc1O)N(C)C(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is TZTGBDKOCTYTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(13-5-3-4-6-14(13)18)17(2)15(19)10-16-9-12-7-8-12/h3-6,11-12,16,18H,7-10H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide?
2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 54874331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).