(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C20H23NO5 — CID 92713329

IUPAC(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)NCc1ccc(OC)cc1OC)CO2
InChIInChI=1S/C20H23NO5/c1-23-16-6-7-18-14(9-16)8-15(12-26-18)20(22)21-11-13-4-5-17(24-2)10-19(13)25-3/h4-7,9-10,15H,8,11-12H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyBDEPJRLKWQMQRF-HNNXBMFYSA-N
MW357.41 g/mol
LogP2.58
Rot. Bonds6

About (3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 92713329) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID92713329
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)NCc1ccc(OC)cc1OC)CO2
InChIInChI=1S/C20H23NO5/c1-23-16-6-7-18-14(9-16)8-15(12-26-18)20(22)21-11-13-4-5-17(24-2)10-19(13)25-3/h4-7,9-10,15H,8,11-12H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyBDEPJRLKWQMQRF-HNNXBMFYSA-N
XLogP2.58
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-difluoro-4-methoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 70743872
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299
1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580982
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578255
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-(phenylcarbamoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 92880598
6-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46968995
6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120827730
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 120652297
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 92713329) is (3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)C[C@H](C(=O)NCc1ccc(OC)cc1OC)CO2.
What is the InChIKey of (3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is BDEPJRLKWQMQRF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-23-16-6-7-18-14(9-16)8-15(12-26-18)20(22)21-11-13-4-5-17(24-2)10-19(13)25-3/h4-7,9-10,15H,8,11-12H2,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 92713329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).