(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C23H29NO5 — CID 92713318

IUPAC(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)[C@H]2COc3ccc(OC)cc3C2)cc1OCC
InChIInChI=1S/C23H29NO5/c1-4-27-21-8-6-16(12-22(21)28-5-2)10-11-24-23(25)18-13-17-14-19(26-3)7-9-20(17)29-15-18/h6-9,12,14,18H,4-5,10-11,13,15H2,1-3H3,(H,24,25)/t18-/m1/s1
InChIKeyCKZOZHADUYBJGX-GOSISDBHSA-N
MW399.49 g/mol
LogP3.40
Rot. Bonds9

About (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 92713318) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID92713318
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)[C@H]2COc3ccc(OC)cc3C2)cc1OCC
InChIInChI=1S/C23H29NO5/c1-4-27-21-8-6-16(12-22(21)28-5-2)10-11-24-23(25)18-13-17-14-19(26-3)7-9-20(17)29-15-18/h6-9,12,14,18H,4-5,10-11,13,15H2,1-3H3,(H,24,25)/t18-/m1/s1
InChIKeyCKZOZHADUYBJGX-GOSISDBHSA-N
XLogP3.40
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86962053
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 70743872
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578277
N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896269
6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578278
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 120652297
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120652296
(3R)-N-(3-cyclohexyloxypropyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97149559
(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99816809

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 92713318) is (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is CCOc1ccc(CCNC(=O)[C@H]2COc3ccc(OC)cc3C2)cc1OCC.
What is the InChIKey of (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is CKZOZHADUYBJGX-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29NO5/c1-4-27-21-8-6-16(12-22(21)28-5-2)10-11-24-23(25)18-13-17-14-19(26-3)7-9-20(17)29-15-18/h6-9,12,14,18H,4-5,10-11,13,15H2,1-3H3,(H,24,25)/t18-/m1/s1.
What are the key properties of (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 92713318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).