2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide

C17H26N2O4 — CID 120792906

IUPAC2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
SMILESCCOc1cc(CNC(=O)C(N)C2CCOCC2)ccc1OC
InChIInChI=1S/C17H26N2O4/c1-3-23-15-10-12(4-5-14(15)21-2)11-19-17(20)16(18)13-6-8-22-9-7-13/h4-5,10,13,16H,3,6-9,11,18H2,1-2H3,(H,19,20)
InChIKeyKQHVLEIYXQIACH-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.46
Rot. Bonds7

About 2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120792906) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
PubChem CID120792906
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
SMILESCCOc1cc(CNC(=O)C(N)C2CCOCC2)ccc1OC
InChIInChI=1S/C17H26N2O4/c1-3-23-15-10-12(4-5-14(15)21-2)11-19-17(20)16(18)13-6-8-22-9-7-13/h4-5,10,13,16H,3,6-9,11,18H2,1-2H3,(H,19,20)
InChIKeyKQHVLEIYXQIACH-UHFFFAOYSA-N
XLogP1.46
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786627
2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120790520
2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide
CID 120790284
2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797991
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate
CID 120793432
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 120793431
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668407
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120789950
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792481
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide (CID 120792906) is 2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide is CCOc1cc(CNC(=O)C(N)C2CCOCC2)ccc1OC.
What is the InChIKey of 2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is KQHVLEIYXQIACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-3-23-15-10-12(4-5-14(15)21-2)11-19-17(20)16(18)13-6-8-22-9-7-13/h4-5,10,13,16H,3,6-9,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120792906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).