N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide

C16H24N2O3 — CID 122151629

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cc(CC(=O)N(C)CCN(C)C2CC2)ccc1O
InChIInChI=1S/C16H24N2O3/c1-17(13-5-6-13)8-9-18(2)16(20)11-12-4-7-14(19)15(10-12)21-3/h4,7,10,13,19H,5-6,8-9,11H2,1-3H3
InChIKeyBXHDGLUBLWGBMW-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.50
Rot. Bonds7

About N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide (PubChem CID 122151629) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide
PubChem CID122151629
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cc(CC(=O)N(C)CCN(C)C2CC2)ccc1O
InChIInChI=1S/C16H24N2O3/c1-17(13-5-6-13)8-9-18(2)16(20)11-12-4-7-14(19)15(10-12)21-3/h4,7,10,13,19H,5-6,8-9,11H2,1-3H3
InChIKeyBXHDGLUBLWGBMW-UHFFFAOYSA-N
XLogP1.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide
CID 166390956
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 115759889
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 60962823
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75393426
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 12004095
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60962824
(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119705002
N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 110003368

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide (CID 122151629) is N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide is COc1cc(CC(=O)N(C)CCN(C)C2CC2)ccc1O.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide?
The InChIKey is BXHDGLUBLWGBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(13-5-6-13)8-9-18(2)16(20)11-12-4-7-14(19)15(10-12)21-3/h4,7,10,13,19H,5-6,8-9,11H2,1-3H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 122151629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).