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

C17H25NO4 — CID 102242812

IUPACN,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
SMILESCCN(CC)C(=O)c1cc(OC)c2c(c1)OC(C)(C)C(O)C2
InChIInChI=1S/C17H25NO4/c1-6-18(7-2)16(20)11-8-13(21-5)12-10-15(19)17(3,4)22-14(12)9-11/h8-9,15,19H,6-7,10H2,1-5H3
InChIKeyKVNLNLCGIAPCBQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.25
Rot. Bonds4

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

N,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide (PubChem CID 102242812) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is N,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
PubChem CID102242812
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC NameN,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
SMILESCCN(CC)C(=O)c1cc(OC)c2c(c1)OC(C)(C)C(O)C2
InChIInChI=1S/C17H25NO4/c1-6-18(7-2)16(20)11-8-13(21-5)12-10-15(19)17(3,4)22-14(12)9-11/h8-9,15,19H,6-7,10H2,1-5H3
InChIKeyKVNLNLCGIAPCBQ-UHFFFAOYSA-N
XLogP2.25
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-8-formyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
CID 134865319
4-[(3,3-dimethyloxiran-2-yl)methyl]-N,N-diethyl-3-hydroxy-5-methoxybenzamide
CID 101144705
methyl (2S,3S)-3-hydroxy-5-methoxy-2-[3-(methoxymethoxy)propyl]-2-methyl-3,4-dihydrochromene-7-carboxylate
CID 102053044
3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4,7,8-tetrahydropyrano[4,3-h]chromen-10-one
CID 131752232
N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 95127027
(E)-1-(3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-phenylprop-2-en-1-one
CID 42607597
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol
CID 78032660
3-[(1-amino-2-chloroethylidene)amino]-N,N-diethyl-4-hydroxy-5-methoxybenzamide
CID 169366665
N,N-diethyl-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
CID 10999838
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide?
The IUPAC name of N,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide (CID 102242812) is N,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide.
What is the SMILES notation for N,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide?
The canonical SMILES for N,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide is CCN(CC)C(=O)c1cc(OC)c2c(c1)OC(C)(C)C(O)C2.
What is the InChIKey of N,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide?
The InChIKey is KVNLNLCGIAPCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-6-18(7-2)16(20)11-8-13(21-5)12-10-15(19)17(3,4)22-14(12)9-11/h8-9,15,19H,6-7,10H2,1-5H3.
What are the key properties of N,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide?
N,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide is sourced from PubChem (CID 102242812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).