(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C19H21NO4 — CID 94823599

IUPAC(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)NC[C@@H](O)c1ccccc1)C2
InChIInChI=1S/C19H21NO4/c1-23-16-8-7-14-9-15(12-24-18(14)10-16)19(22)20-11-17(21)13-5-3-2-4-6-13/h2-8,10,15,17,21H,9,11-12H2,1H3,(H,20,22)/t15-,17+/m0/s1
InChIKeySLUSOOZIMREXMA-DOTOQJQBSA-N
MW327.38 g/mol
LogP2.10
Rot. Bonds5

About (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 94823599) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID94823599
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)NC[C@@H](O)c1ccccc1)C2
InChIInChI=1S/C19H21NO4/c1-23-16-8-7-14-9-15(12-24-18(14)10-16)19(22)20-11-17(21)13-5-3-2-4-6-13/h2-8,10,15,17,21H,9,11-12H2,1H3,(H,20,22)/t15-,17+/m0/s1
InChIKeySLUSOOZIMREXMA-DOTOQJQBSA-N
XLogP2.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823597
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
(3S)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 30529658
(3S)-7-methoxy-N-[(1-methylindazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99783459
methyl (3S)-3-[[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]butanoate
CID 95335885
N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044830
(3S)-N-[2-(4-fluorophenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050059
(3S)-7-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050077
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120827730
7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 49194606

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 94823599) is (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OC[C@@H](C(=O)NC[C@@H](O)c1ccccc1)C2.
What is the InChIKey of (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is SLUSOOZIMREXMA-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-16-8-7-14-9-15(12-24-18(14)10-16)19(22)20-11-17(21)13-5-3-2-4-6-13/h2-8,10,15,17,21H,9,11-12H2,1H3,(H,20,22)/t15-,17+/m0/s1.
What are the key properties of (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 94823599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).