methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate

C17H19NO6 — CID 19877612

IUPACmethyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate
SMILESCOC(=O)COCC(=O)N(O)Cc1ccc2ccccc2c1OC
InChIInChI=1S/C17H19NO6/c1-22-16(20)11-24-10-15(19)18(21)9-13-8-7-12-5-3-4-6-14(12)17(13)23-2/h3-8,21H,9-11H2,1-2H3
InChIKeyRDNNSEXQDUPSHV-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.76
Rot. Bonds7

About methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate

methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate (PubChem CID 19877612) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate
PubChem CID19877612
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Namemethyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate
SMILESCOC(=O)COCC(=O)N(O)Cc1ccc2ccccc2c1OC
InChIInChI=1S/C17H19NO6/c1-22-16(20)11-24-10-15(19)18(21)9-13-8-7-12-5-3-4-6-14(12)17(13)23-2/h3-8,21H,9-11H2,1-2H3
InChIKeyRDNNSEXQDUPSHV-UHFFFAOYSA-N
XLogP1.76
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[hydroxy-[(1-hydroxynaphthalen-2-yl)methyl]amino]-4-oxobutanoate
CID 19877527
methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate
CID 19877572
methyl 2-(1-bromonaphthalen-2-yl)acetate
CID 14492154
2-(hydroxysulfanylmethyl)-1-methoxynaphthalene
CID 166953563
3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one
CID 14472243
1-methoxy-2-propylnaphthalene
CID 19091368
2-benzyl-1-methoxynaphthalene
CID 15617899
1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene
CID 15852631
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
N-methyl-2-naphthalen-2-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 26555249
methyl 2-[4-(phenanthren-1-ylamino)phenyl]acetate
CID 174452951
methyl 2-(2-methylpropyl)naphthalene-1-carboxylate
CID 141020633

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate?
The IUPAC name of methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate (CID 19877612) is methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate.
What is the SMILES notation for methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate?
The canonical SMILES for methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate is COC(=O)COCC(=O)N(O)Cc1ccc2ccccc2c1OC.
What is the InChIKey of methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate?
The InChIKey is RDNNSEXQDUPSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-22-16(20)11-24-10-15(19)18(21)9-13-8-7-12-5-3-4-6-14(12)17(13)23-2/h3-8,21H,9-11H2,1-2H3.
What are the key properties of methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate?
methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate has a molecular weight of 333.34 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[hydroxy-[(1-methoxynaphthalen-2-yl)methyl]amino]-2-oxoethoxy]acetate is sourced from PubChem (CID 19877612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).