methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate

C17H23NO5 — CID 94821763

IUPACmethyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)[C@H]1COc2cc(OC)ccc2C1
InChIInChI=1S/C17H23NO5/c1-4-18(8-7-16(19)22-3)17(20)13-9-12-5-6-14(21-2)10-15(12)23-11-13/h5-6,10,13H,4,7-9,11H2,1-3H3/t13-/m1/s1
InChIKeyFOHFERARNFCUSG-CYBMUJFWSA-N
MW321.37 g/mol
LogP1.66
Rot. Bonds6

About methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate

methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate (PubChem CID 94821763) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate
PubChem CID94821763
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Namemethyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)[C@H]1COc2cc(OC)ccc2C1
InChIInChI=1S/C17H23NO5/c1-4-18(8-7-16(19)22-3)17(20)13-9-12-5-6-14(21-2)10-15(12)23-11-13/h5-6,10,13H,4,7-9,11H2,1-3H3/t13-/m1/s1
InChIKeyFOHFERARNFCUSG-CYBMUJFWSA-N
XLogP1.66
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid
CID 125153337
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
(3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97146785
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
N-(2-hydroxyethyl)-7-methoxy-N-[(E)-3-phenylprop-2-enyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72931982
N-(2-hydroxyethyl)-7-methoxy-N-(3-phenylprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 91940787
methyl (3S)-3-[[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]butanoate
CID 95335885
(2R)-3-[[(3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 97324496
(3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050038
(3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97113013
(3R)-N-cyclopropyl-7-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050922

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate (CID 94821763) is methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate is CCN(CCC(=O)OC)C(=O)[C@H]1COc2cc(OC)ccc2C1.
What is the InChIKey of methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate?
The InChIKey is FOHFERARNFCUSG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23NO5/c1-4-18(8-7-16(19)22-3)17(20)13-9-12-5-6-14(21-2)10-15(12)23-11-13/h5-6,10,13H,4,7-9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate?
methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate has a molecular weight of 321.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate is sourced from PubChem (CID 94821763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).