3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide

C15H22N2O2 — CID 115711983

IUPAC3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O2/c1-19-9-8-17-15(18)6-7-16-14-10-12-4-2-3-5-13(12)11-14/h2-5,14,16H,6-11H2,1H3,(H,17,18)
InChIKeyOEHICVZPHSJYHQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.90
Rot. Bonds7

About 3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide

3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide (PubChem CID 115711983) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide
PubChem CID115711983
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O2/c1-19-9-8-17-15(18)6-7-16-14-10-12-4-2-3-5-13(12)11-14/h2-5,14,16H,6-11H2,1H3,(H,17,18)
InChIKeyOEHICVZPHSJYHQ-UHFFFAOYSA-N
XLogP0.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate
CID 24832867
N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 115712000
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948
N-[4-(2-methoxyethoxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 115715426
methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate
CID 171725916
N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide
CID 54901056
3-(cyclopropylamino)-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 107842751
N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide
CID 115652663
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711938
(3S)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896839
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N-(2-methoxyethyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109015107

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide (CID 115711983) is 3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide?
The InChIKey is OEHICVZPHSJYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-9-8-17-15(18)6-7-16-14-10-12-4-2-3-5-13(12)11-14/h2-5,14,16H,6-11H2,1H3,(H,17,18).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide?
3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide has a molecular weight of 262.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115711983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).