2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

C19H28ClN3O3 — CID 120792813

IUPAC2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCc1ccc2c(c1)C(CCNC(=O)C(N)C1CCOCC1)C(=O)N2.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-2-12-3-4-16-15(11-12)14(18(23)22-16)5-8-21-19(24)17(20)13-6-9-25-10-7-13;/h3-4,11,13-14,17H,2,5-10,20H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyBTGNMJCBDOJNLC-UHFFFAOYSA-N
MW381.90 g/mol
LogP1.97
Rot. Bonds6

About 2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120792813) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is 2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120792813
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCc1ccc2c(c1)C(CCNC(=O)C(N)C1CCOCC1)C(=O)N2.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-2-12-3-4-16-15(11-12)14(18(23)22-16)5-8-21-19(24)17(20)13-6-9-25-10-7-13;/h3-4,11,13-14,17H,2,5-10,20H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyBTGNMJCBDOJNLC-UHFFFAOYSA-N
XLogP1.97
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120792813) is 2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is CCc1ccc2c(c1)C(CCNC(=O)C(N)C1CCOCC1)C(=O)N2.Cl.
What is the InChIKey of 2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is BTGNMJCBDOJNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-2-12-3-4-16-15(11-12)14(18(23)22-16)5-8-21-19(24)17(20)13-6-9-25-10-7-13;/h3-4,11,13-14,17H,2,5-10,20H2,1H3,(H,21,24)(H,22,23);1H.
What are the key properties of 2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120792813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).