4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide

C15H22N2O2 — CID 120592176

IUPAC4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC1CCc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-19-13(9-16)8-15(18)17-10-12-7-6-11-4-2-3-5-14(11)12/h2-5,12-13H,6-10,16H2,1H3,(H,17,18)
InChIKeyOFEBFXBLEYJBND-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.20
Rot. Bonds6

About 4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide

4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide (PubChem CID 120592176) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide
PubChem CID120592176
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC1CCc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-19-13(9-16)8-15(18)17-10-12-7-6-11-4-2-3-5-14(11)12/h2-5,12-13H,6-10,16H2,1H3,(H,17,18)
InChIKeyOFEBFXBLEYJBND-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide
CID 120590979
4-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide;hydrochloride
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4-amino-3-methoxy-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]butanamide
CID 120592406
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1H-inden-1-ylmethyl)acetamide;hydrochloride
CID 119783179
3-(2,3-dihydro-1H-inden-1-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 122065562
4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxybutanamide;hydrochloride
CID 120589829
methyl (2R)-2-amino-3-(2,3-dihydro-1H-inden-1-yl)propanoate;hydrochloride
CID 163202613
2-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-2-phenylacetamide;hydrochloride
CID 119323377
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid
CID 55155028
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide
CID 163312235

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide (CID 120592176) is 4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide is COC(CN)CC(=O)NCC1CCc2ccccc21.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide?
The InChIKey is OFEBFXBLEYJBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-13(9-16)8-15(18)17-10-12-7-6-11-4-2-3-5-14(11)12/h2-5,12-13H,6-10,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide?
4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide has a molecular weight of 262.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-3-methoxybutanamide is sourced from PubChem (CID 120592176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).