N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide

C18H25NO5 — CID 134865319

IUPACN,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
SMILESCCN(CC)C(=O)c1cc(OC)c2c(c1C=O)OC(C)(C)C(O)C2
InChIInChI=1S/C18H25NO5/c1-6-19(7-2)17(22)11-8-14(23-5)12-9-15(21)18(3,4)24-16(12)13(11)10-20/h8,10,15,21H,6-7,9H2,1-5H3
InChIKeyTXTMQRNAQODFED-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.06
Rot. Bonds5

About N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide

N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide (PubChem CID 134865319) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
PubChem CID134865319
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC NameN,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
SMILESCCN(CC)C(=O)c1cc(OC)c2c(c1C=O)OC(C)(C)C(O)C2
InChIInChI=1S/C18H25NO5/c1-6-19(7-2)17(22)11-8-14(23-5)12-9-15(21)18(3,4)24-16(12)13(11)10-20/h8,10,15,21H,6-7,9H2,1-5H3
InChIKeyTXTMQRNAQODFED-UHFFFAOYSA-N
XLogP2.06
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
CID 102242812
(E)-1-(3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 6479089
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
N,N-diethyl-3,5-difluoro-2-formylbenzamide
CID 82544316
3,5-dichloro-N,N-diethyl-2-formylbenzamide
CID 82544303
4-[(3,3-dimethyloxiran-2-yl)methyl]-N,N-diethyl-3-hydroxy-5-methoxybenzamide
CID 101144705
N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 95127027
N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide
CID 138964223
4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide
CID 3074361
3-[(3R)-3,5-dihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-4-one
CID 162959961
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
N-ethyl-4,5-dimethoxy-2-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94799727

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide?
The IUPAC name of N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide (CID 134865319) is N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide.
What is the SMILES notation for N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide?
The canonical SMILES for N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide is CCN(CC)C(=O)c1cc(OC)c2c(c1C=O)OC(C)(C)C(O)C2.
What is the InChIKey of N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide?
The InChIKey is TXTMQRNAQODFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-6-19(7-2)17(22)11-8-14(23-5)12-9-15(21)18(3,4)24-16(12)13(11)10-20/h8,10,15,21H,6-7,9H2,1-5H3.
What are the key properties of N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide?
N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide is sourced from PubChem (CID 134865319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).