2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide

C22H25N3O3 — CID 120790886

IUPAC2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1)C1CCOCC1
InChIInChI=1S/C22H25N3O3/c23-20(16-9-12-28-13-10-16)21(26)24-18-6-3-5-17(14-18)22(27)25-11-8-15-4-1-2-7-19(15)25/h1-7,14,16,20H,8-13,23H2,(H,24,26)
InChIKeyRULZNRVQLWMZJG-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.58
Rot. Bonds4

About 2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide

2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 120790886) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
PubChem CID120790886
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1)C1CCOCC1
InChIInChI=1S/C22H25N3O3/c23-20(16-9-12-28-13-10-16)21(26)24-18-6-3-5-17(14-18)22(27)25-11-8-15-4-1-2-7-19(15)25/h1-7,14,16,20H,8-13,23H2,(H,24,26)
InChIKeyRULZNRVQLWMZJG-UHFFFAOYSA-N
XLogP2.58
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide
CID 120929329
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
(2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide
CID 119310528
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
CID 60614369
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 120799452
4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120590924
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide (CID 120790886) is 2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide is NC(C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is RULZNRVQLWMZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c23-20(16-9-12-28-13-10-16)21(26)24-18-6-3-5-17(14-18)22(27)25-11-8-15-4-1-2-7-19(15)25/h1-7,14,16,20H,8-13,23H2,(H,24,26).
What are the key properties of 2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120790886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).