N-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide

C19H26N2O3 — CID 7303161

IUPACN-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide
SMILESC[C@@H](/C=N\NC(=O)CC1CCCCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H26N2O3/c1-14(9-16-7-8-17-18(10-16)24-13-23-17)12-20-21-19(22)11-15-5-3-2-4-6-15/h7-8,10,12,14-15H,2-6,9,11,13H2,1H3,(H,21,22)/b20-12-/t14-/m1/s1
InChIKeyDOHHCSLZWYVKOK-FAPYRAKZSA-N
MW330.43 g/mol
LogP3.67
Rot. Bonds6

About N-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide

N-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide (PubChem CID 7303161) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide
PubChem CID7303161
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide
SMILESC[C@@H](/C=N\NC(=O)CC1CCCCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H26N2O3/c1-14(9-16-7-8-17-18(10-16)24-13-23-17)12-20-21-19(22)11-15-5-3-2-4-6-15/h7-8,10,12,14-15H,2-6,9,11,13H2,1H3,(H,21,22)/b20-12-/t14-/m1/s1
InChIKeyDOHHCSLZWYVKOK-FAPYRAKZSA-N
XLogP3.67
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]thiourea
CID 5414613
N-[[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-3-methylbenzamide
CID 840842
N-[(Z)-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-3,4,5-trimethoxybenzamide
CID 40571645
N-[(Z)-[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-4-nitrobenzamide
CID 6058784
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide
CID 166443374
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
CID 78800834
N-[2-[[N-(1,3-benzodioxol-5-ylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111844344
1,3-benzodioxol-5-ylmethyl 2-cyclopentylacetate
CID 55313867
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
2-cyclopentyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 47097716
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide?
The IUPAC name of N-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide (CID 7303161) is N-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide.
What is the SMILES notation for N-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide?
The canonical SMILES for N-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide is C[C@@H](/C=N\NC(=O)CC1CCCCC1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide?
The InChIKey is DOHHCSLZWYVKOK-FAPYRAKZSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(9-16-7-8-17-18(10-16)24-13-23-17)12-20-21-19(22)11-15-5-3-2-4-6-15/h7-8,10,12,14-15H,2-6,9,11,13H2,1H3,(H,21,22)/b20-12-/t14-/m1/s1.
What are the key properties of N-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide?
N-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide has a molecular weight of 330.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-2-cyclohexylacetamide is sourced from PubChem (CID 7303161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).