4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide

C14H20N2O2 — CID 79366946

IUPAC4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
SMILESCOc1ccc2c(c1)C(NCCCC(N)=O)CC2
InChIInChI=1S/C14H20N2O2/c1-18-11-6-4-10-5-7-13(12(10)9-11)16-8-2-3-14(15)17/h4,6,9,13,16H,2-3,5,7-8H2,1H3,(H2,15,17)
InChIKeyLZYYVIXLODJULI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.54
Rot. Bonds6

About 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide

4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide (PubChem CID 79366946) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
PubChem CID79366946
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
SMILESCOc1ccc2c(c1)C(NCCCC(N)=O)CC2
InChIInChI=1S/C14H20N2O2/c1-18-11-6-4-10-5-7-13(12(10)9-11)16-8-2-3-14(15)17/h4,6,9,13,16H,2-3,5,7-8H2,1H3,(H2,15,17)
InChIKeyLZYYVIXLODJULI-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.54
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

4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 79366308
6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 82942309
5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
CID 114161832
N-cyclopropyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79366753
6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 113429607
tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
CID 103780562
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
methyl 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate
CID 60782387
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
4-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115715635

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide?
The IUPAC name of 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide (CID 79366946) is 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide.
What is the SMILES notation for 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide?
The canonical SMILES for 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide is COc1ccc2c(c1)C(NCCCC(N)=O)CC2.
What is the InChIKey of 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide?
The InChIKey is LZYYVIXLODJULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-11-6-4-10-5-7-13(12(10)9-11)16-8-2-3-14(15)17/h4,6,9,13,16H,2-3,5,7-8H2,1H3,(H2,15,17).
What are the key properties of 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide?
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide has a molecular weight of 248.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide is sourced from PubChem (CID 79366946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).