7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C16H23NO3 — CID 110763715

IUPAC7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCCN(CCC)C(=O)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C16H23NO3/c1-4-6-17(7-5-2)16(18)13-11-15-14(10-12(13)3)19-8-9-20-15/h10-11H,4-9H2,1-3H3
InChIKeyDDFMQGBGUVIHDD-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.03
Rot. Bonds5

About 7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 110763715) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID110763715
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCCN(CCC)C(=O)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C16H23NO3/c1-4-6-17(7-5-2)16(18)13-11-15-14(10-12(13)3)19-8-9-20-15/h10-11H,4-9H2,1-3H3
InChIKeyDDFMQGBGUVIHDD-UHFFFAOYSA-N
XLogP3.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763643
N-(2-hydroxyethyl)-7-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135097372
3,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
CID 82498713
N-(cyanomethyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 82475079
N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028436
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N,N-dipropylbutanamide
CID 110344425
N-(2-aminoethyl)-2,4-dimethyl-N-propylbenzamide
CID 61349150
1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-one
CID 2925580
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 72869169
4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide
CID 84556489
(4-aminophenyl)-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116917377
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of 7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 110763715) is 7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for 7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for 7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CCCN(CCC)C(=O)c1cc2c(cc1C)OCCO2.
What is the InChIKey of 7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is DDFMQGBGUVIHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-6-17(7-5-2)16(18)13-11-15-14(10-12(13)3)19-8-9-20-15/h10-11H,4-9H2,1-3H3.
What are the key properties of 7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 110763715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).