N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C20H22N2O5 — CID 166180863

IUPACN-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCCOc1ccc([C@H](COC)NC(=O)c2cccc3c2OCC(=O)N3)cc1
InChIInChI=1S/C20H22N2O5/c1-3-26-14-9-7-13(8-10-14)17(11-25-2)22-20(24)15-5-4-6-16-19(15)27-12-18(23)21-16/h4-10,17H,3,11-12H2,1-2H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyAXRVVDQKMWWELB-KRWDZBQOSA-N
MW370.41 g/mol
LogP2.53
Rot. Bonds7

About N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide

N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 166180863) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID166180863
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCCOc1ccc([C@H](COC)NC(=O)c2cccc3c2OCC(=O)N3)cc1
InChIInChI=1S/C20H22N2O5/c1-3-26-14-9-7-13(8-10-14)17(11-25-2)22-20(24)15-5-4-6-16-19(15)27-12-18(23)21-16/h4-10,17H,3,11-12H2,1-2H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyAXRVVDQKMWWELB-KRWDZBQOSA-N
XLogP2.53
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701488
3-oxo-N-propyl-4H-1,4-benzoxazine-8-carboxamide
CID 110701487
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701561
N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701603
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide
CID 100646270
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119052898
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]pyrazine-2-carboxamide
CID 124854277
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide
CID 124730066
methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate
CID 117346035
8-ethyl-4H-1,4-benzoxazin-3-one
CID 68908542
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide
CID 124847644
(2R)-N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]oxolane-2-carboxamide
CID 124881098

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 166180863) is N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide is CCOc1ccc([C@H](COC)NC(=O)c2cccc3c2OCC(=O)N3)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is AXRVVDQKMWWELB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-26-14-9-7-13(8-10-14)17(11-25-2)22-20(24)15-5-4-6-16-19(15)27-12-18(23)21-16/h4-10,17H,3,11-12H2,1-2H3,(H,21,23)(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 166180863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).