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

C20H29ClN2O3 — CID 119697130

IUPAC2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C20H28N2O3.ClH/c23-19(13-21-12-15-3-4-15)22-14-20(7-1-2-8-20)16-5-6-17-18(11-16)25-10-9-24-17;/h5-6,11,15,21H,1-4,7-10,12-14H2,(H,22,23);1H
InChIKeyKGQTYCAJTJJYOE-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.81
Rot. Bonds7

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

2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride (PubChem CID 119697130) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride
PubChem CID119697130
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC Name2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C20H28N2O3.ClH/c23-19(13-21-12-15-3-4-15)22-14-20(7-1-2-8-20)16-5-6-17-18(11-16)25-10-9-24-17;/h5-6,11,15,21H,1-4,7-10,12-14H2,(H,22,23);1H
InChIKeyKGQTYCAJTJJYOE-UHFFFAOYSA-N
XLogP2.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methylbutanamide
CID 51283138
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]oxane-4-carboxamide
CID 51283146
4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride
CID 120559506
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 119275364
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(cyclopropylmethylamino)acetamide
CID 119744818
2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide
CID 55471222
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 119275374
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 55470208
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619191
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;hydrochloride
CID 119669227
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopropanamine
CID 62594065

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride (CID 119697130) is 2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NCC1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride?
The InChIKey is KGQTYCAJTJJYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3.ClH/c23-19(13-21-12-15-3-4-15)22-14-20(7-1-2-8-20)16-5-6-17-18(11-16)25-10-9-24-17;/h5-6,11,15,21H,1-4,7-10,12-14H2,(H,22,23);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119697130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).