2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride

C18H28ClN3O4 — CID 120783733

IUPAC2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-3-21(18(23)17(19)13-7-9-25-10-8-13)12-16(22)20-14-5-4-6-15(11-14)24-2;/h4-6,11,13,17H,3,7-10,12,19H2,1-2H3,(H,20,22);1H
InChIKeyZGXZFPXKTQPDJN-UHFFFAOYSA-N
MW385.89 g/mol
LogP1.66
Rot. Bonds7

About 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120783733) has the molecular formula C18H28ClN3O4 and a molecular weight of 385.89 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120783733
Molecular FormulaC18H28ClN3O4
Molecular Weight385.89 g/mol
Exact Mass385.18
IUPAC Name2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-3-21(18(23)17(19)13-7-9-25-10-8-13)12-16(22)20-14-5-4-6-15(11-14)24-2;/h4-6,11,13,17H,3,7-10,12,19H2,1-2H3,(H,20,22);1H
InChIKeyZGXZFPXKTQPDJN-UHFFFAOYSA-N
XLogP1.66
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787699
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
CID 30839706
4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 120559009
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651
1-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119729055
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 40609025
3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119729065
(2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119729072
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119292397
2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782987
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120783733) is 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C(N)C1CCOCC1.Cl.
What is the InChIKey of 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is ZGXZFPXKTQPDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4.ClH/c1-3-21(18(23)17(19)13-7-9-25-10-8-13)12-16(22)20-14-5-4-6-15(11-14)24-2;/h4-6,11,13,17H,3,7-10,12,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120783733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).