N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide

C19H28N2O4 — CID 113056225

IUPACN-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide
SMILESCOc1ccc(CCN(CCNC(=O)C2CCC2)C(C)=O)cc1OC
InChIInChI=1S/C19H28N2O4/c1-14(22)21(12-10-20-19(23)16-5-4-6-16)11-9-15-7-8-17(24-2)18(13-15)25-3/h7-8,13,16H,4-6,9-12H2,1-3H3,(H,20,23)
InChIKeyNUFIMWSDXOOXPM-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.01
Rot. Bonds9

About N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide

N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide (PubChem CID 113056225) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide
PubChem CID113056225
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide
SMILESCOc1ccc(CCN(CCNC(=O)C2CCC2)C(C)=O)cc1OC
InChIInChI=1S/C19H28N2O4/c1-14(22)21(12-10-20-19(23)16-5-4-6-16)11-9-15-7-8-17(24-2)18(13-15)25-3/h7-8,13,16H,4-6,9-12H2,1-3H3,(H,20,23)
InChIKeyNUFIMWSDXOOXPM-UHFFFAOYSA-N
XLogP2.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113055884
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113056239
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113056230
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538969
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 3901143
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145625
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113121872
3-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113121874
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165315
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide
CID 16722816

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide (CID 113056225) is N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide is COc1ccc(CCN(CCNC(=O)C2CCC2)C(C)=O)cc1OC.
What is the InChIKey of N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide?
The InChIKey is NUFIMWSDXOOXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(22)21(12-10-20-19(23)16-5-4-6-16)11-9-15-7-8-17(24-2)18(13-15)25-3/h7-8,13,16H,4-6,9-12H2,1-3H3,(H,20,23).
What are the key properties of N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide?
N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide has a molecular weight of 348.44 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 113056225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).