4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride

C19H29ClN2O3 — CID 120559506

IUPAC4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-14(20)4-7-18(22)21-13-19(8-2-3-9-19)15-5-6-16-17(12-15)24-11-10-23-16;/h5-6,12,14H,2-4,7-11,13,20H2,1H3,(H,21,22);1H
InChIKeyWGOXSZRUSQQDBG-UHFFFAOYSA-N
MW368.91 g/mol
LogP2.93
Rot. Bonds6

About 4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride

4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride (PubChem CID 120559506) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is 4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride
PubChem CID120559506
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Name4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-14(20)4-7-18(22)21-13-19(8-2-3-9-19)15-5-6-16-17(12-15)24-11-10-23-16;/h5-6,12,14H,2-4,7-11,13,20H2,1H3,(H,21,22);1H
InChIKeyWGOXSZRUSQQDBG-UHFFFAOYSA-N
XLogP2.93
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride with MolForge

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Related Compounds

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methylbutanamide
CID 51283138
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 119275364
4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120560680
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 119275374
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561083
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 46417934
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119749613
2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119697130
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43067809
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55629089

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride (CID 120559506) is 4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride is CC(N)CCC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1.Cl.
What is the InChIKey of 4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride?
The InChIKey is WGOXSZRUSQQDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3.ClH/c1-14(20)4-7-18(22)21-13-19(8-2-3-9-19)15-5-6-16-17(12-15)24-11-10-23-16;/h5-6,12,14H,2-4,7-11,13,20H2,1H3,(H,21,22);1H.
What are the key properties of 4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride?
4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 120559506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).