1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide

C24H30N2O3 — CID 51953588

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide
SMILESC[C@@H](CNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)N(C)c1ccccc1
InChIInChI=1S/C24H30N2O3/c1-18(26(2)20-8-4-3-5-9-20)17-25-23(27)24(12-6-7-13-24)19-10-11-21-22(16-19)29-15-14-28-21/h3-5,8-11,16,18H,6-7,12-15,17H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyIOMBLZRZZXORHQ-SFHVURJKSA-N
MW394.52 g/mol
LogP3.91
Rot. Bonds6

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide (PubChem CID 51953588) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide
PubChem CID51953588
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide
SMILESC[C@@H](CNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)N(C)c1ccccc1
InChIInChI=1S/C24H30N2O3/c1-18(26(2)20-8-4-3-5-9-20)17-25-23(27)24(12-6-7-13-24)19-10-11-21-22(16-19)29-15-14-28-21/h3-5,8-11,16,18H,6-7,12-15,17H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyIOMBLZRZZXORHQ-SFHVURJKSA-N
XLogP3.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113198614
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
CID 56684429
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55451108
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 46483063
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(N-methylanilino)propyl]benzamide
CID 55721161
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 113198628
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 39630812
N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55451344
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclopentane-1-carboxamide
CID 55526551
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 31816680
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 55743758

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide (CID 51953588) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide is C[C@@H](CNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)N(C)c1ccccc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide?
The InChIKey is IOMBLZRZZXORHQ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18(26(2)20-8-4-3-5-9-20)17-25-23(27)24(12-6-7-13-24)19-10-11-21-22(16-19)29-15-14-28-21/h3-5,8-11,16,18H,6-7,12-15,17H2,1-2H3,(H,25,27)/t18-/m0/s1.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(N-methylanilino)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 51953588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).