2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C16H22N2O3 — CID 60998760

IUPAC2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(NC1CCCC1)(C(N)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3/c1-16(15(17)19,18-12-4-2-3-5-12)11-6-7-13-14(10-11)21-9-8-20-13/h6-7,10,12,18H,2-5,8-9H2,1H3,(H2,17,19)
InChIKeyVEPGEQSMBPGRNK-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.69
Rot. Bonds4

About 2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 60998760) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID60998760
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(NC1CCCC1)(C(N)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3/c1-16(15(17)19,18-12-4-2-3-5-12)11-6-7-13-14(10-11)21-9-8-20-13/h6-7,10,12,18H,2-5,8-9H2,1H3,(H2,17,19)
InChIKeyVEPGEQSMBPGRNK-UHFFFAOYSA-N
XLogP1.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794924
2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanamide
CID 54894241
2-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)propanoic acid
CID 43754410
2-(cyclopentylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
CID 61055167
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide
CID 60997602
2-(cyclopentylamino)-2-(2,4-dimethylphenyl)propanamide
CID 54894284
2-(1,3-benzodioxol-5-yl)-2-(ethylamino)propanamide
CID 60786055
methyl 2-(cyclopropylmethylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
CID 61001719
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
2-(cyclopropylamino)-2-pyridin-4-ylpropanamide
CID 60795921
N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 99809011
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate
CID 54918112

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 60998760) is 2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CC(NC1CCCC1)(C(N)=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is VEPGEQSMBPGRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(15(17)19,18-12-4-2-3-5-12)11-6-7-13-14(10-11)21-9-8-20-13/h6-7,10,12,18H,2-5,8-9H2,1H3,(H2,17,19).
What are the key properties of 2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 290.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 60998760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).