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

C19H20N2O4 — CID 42917950

IUPAC2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(=O)c1ccc(NC(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H20N2O4/c1-12(20-15-5-3-14(4-6-15)13(2)22)19(23)21-16-7-8-17-18(11-16)25-10-9-24-17/h3-8,11-12,20H,9-10H2,1-2H3,(H,21,23)
InChIKeyGOOJUUXYGVVEAS-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.10
Rot. Bonds5

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

2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 42917950) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID42917950
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(=O)c1ccc(NC(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H20N2O4/c1-12(20-15-5-3-14(4-6-15)13(2)22)19(23)21-16-7-8-17-18(11-16)25-10-9-24-17/h3-8,11-12,20H,9-10H2,1-2H3,(H,21,23)
InChIKeyGOOJUUXYGVVEAS-UHFFFAOYSA-N
XLogP3.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyanilino)propanamide
CID 17436766
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 17498842
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 4804176
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242256
2-N-(4-acetylphenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143802
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide
CID 7509615
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 8891402
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 19317185
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoate
CID 22592459

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 42917950) is 2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CC(=O)c1ccc(NC(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is GOOJUUXYGVVEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(20-15-5-3-14(4-6-15)13(2)22)19(23)21-16-7-8-17-18(11-16)25-10-9-24-17/h3-8,11-12,20H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 42917950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).