4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride

C14H21ClN2O2 — CID 120586674

IUPAC4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc2c(c1)CCC2.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-18-13(9-15)8-14(17)16-12-6-5-10-3-2-4-11(10)7-12;/h5-7,13H,2-4,8-9,15H2,1H3,(H,16,17);1H
InChIKeyZFWWXXQGEYJQEY-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.90
Rot. Bonds5

About 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride

4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride (PubChem CID 120586674) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride
PubChem CID120586674
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc2c(c1)CCC2.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-18-13(9-15)8-14(17)16-12-6-5-10-3-2-4-11(10)7-12;/h5-7,13H,2-4,8-9,15H2,1H3,(H,16,17);1H
InChIKeyZFWWXXQGEYJQEY-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186
5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120592024
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide
CID 123563159
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
CID 60849517

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride (CID 120586674) is 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)Nc1ccc2c(c1)CCC2.Cl.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride?
The InChIKey is ZFWWXXQGEYJQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-18-13(9-15)8-14(17)16-12-6-5-10-3-2-4-11(10)7-12;/h5-7,13H,2-4,8-9,15H2,1H3,(H,16,17);1H.
What are the key properties of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride?
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.90, 5 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-5-yl)-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120586674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).