N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide

C19H21NO5 — CID 1212099

IUPACN-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc3O2)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-12(18-11-24-15-6-4-5-7-16(15)25-18)20-19(21)14-9-8-13(22-2)10-17(14)23-3/h4-10,12,18H,11H2,1-3H3,(H,20,21)/t12-,18+/m0/s1
InChIKeyIRXNDNJDQATYQA-KPZWWZAWSA-N
MW343.38 g/mol
LogP2.66
Rot. Bonds5

About N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide

N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide (PubChem CID 1212099) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide
PubChem CID1212099
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc3O2)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-12(18-11-24-15-6-4-5-7-16(15)25-18)20-19(21)14-9-8-13(22-2)10-17(14)23-3/h4-10,12,18H,11H2,1-3H3,(H,20,21)/t12-,18+/m0/s1
InChIKeyIRXNDNJDQATYQA-KPZWWZAWSA-N
XLogP2.66
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 1114583
4-butoxy-N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxybenzamide
CID 7117730
4-butoxy-N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxybenzamide
CID 7117731
N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxy-4-propoxybenzamide
CID 7431196
N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methoxy-4-propoxybenzamide
CID 3135712
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-(2-methylpropoxy)benzamide
CID 1120176
N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-(2-methylpropoxy)benzamide
CID 1120179
N-[(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-propoxybenzamide
CID 7105997
N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-prop-2-enoxybenzamide
CID 2852148
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]furan-2-carboxamide
CID 878326
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 8023035
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42991331

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide (CID 1212099) is N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc3O2)c(OC)c1.
What is the InChIKey of N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide?
The InChIKey is IRXNDNJDQATYQA-KPZWWZAWSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12(18-11-24-15-6-4-5-7-16(15)25-18)20-19(21)14-9-8-13(22-2)10-17(14)23-3/h4-10,12,18H,11H2,1-3H3,(H,20,21)/t12-,18+/m0/s1.
What are the key properties of N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide?
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide has a molecular weight of 343.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 1212099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).