2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide

C18H25N3O3 — CID 120792108

IUPAC2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide
SMILESCC(NC(=O)C(N)C1CCOCC1)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C18H25N3O3/c1-11(20-18(23)17(19)12-5-7-24-8-6-12)13-3-4-15-14(9-13)10-16(22)21(15)2/h3-4,9,11-12,17H,5-8,10,19H2,1-2H3,(H,20,23)
InChIKeyONKUKWZDGUMNBQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.14
Rot. Bonds4

About 2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide

2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide (PubChem CID 120792108) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide
PubChem CID120792108
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide
SMILESCC(NC(=O)C(N)C1CCOCC1)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C18H25N3O3/c1-11(20-18(23)17(19)12-5-7-24-8-6-12)13-3-4-15-14(9-13)10-16(22)21(15)2/h3-4,9,11-12,17H,5-8,10,19H2,1-2H3,(H,20,23)
InChIKeyONKUKWZDGUMNBQ-UHFFFAOYSA-N
XLogP1.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride
CID 119317931
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784097
5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 61277900
(2S,5R)-5-(aminomethyl)-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120792105
2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120785883
2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784279
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789057
2-amino-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787225
N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116847020

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide (CID 120792108) is 2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide is CC(NC(=O)C(N)C1CCOCC1)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide?
The InChIKey is ONKUKWZDGUMNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11(20-18(23)17(19)12-5-7-24-8-6-12)13-3-4-15-14(9-13)10-16(22)21(15)2/h3-4,9,11-12,17H,5-8,10,19H2,1-2H3,(H,20,23).
What are the key properties of 2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120792108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).