methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate

C16H17NO4 — CID 26635464

IUPACmethyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)COc1cccc2ccccc12
InChIInChI=1S/C16H17NO4/c1-20-16(19)9-10-17-15(18)11-21-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-11H2,1H3,(H,17,18)
InChIKeyRSINDXBEWCKFAH-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.90
Rot. Bonds6

About methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate

methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate (PubChem CID 26635464) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate
PubChem CID26635464
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Namemethyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)COc1cccc2ccccc12
InChIInChI=1S/C16H17NO4/c1-20-16(19)9-10-17-15(18)11-21-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-11H2,1H3,(H,17,18)
InChIKeyRSINDXBEWCKFAH-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate
CID 60637211
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
2-(2,6-dimethylphenoxy)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 19174649
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577
N-tert-butyl-2-naphthalen-1-yloxyacetamide
CID 954544
methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109
N-(2-amino-2-ethylbutyl)-2-naphthalen-1-yloxyacetamide
CID 119641906
N-(2-methylnaphthalen-1-yl)-2-naphthalen-1-yloxyacetamide
CID 856175
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
1-[(2-naphthalen-1-yloxyacetyl)amino]-3-propylthiourea
CID 40648338

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate (CID 26635464) is methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate is COC(=O)CCNC(=O)COc1cccc2ccccc12.
What is the InChIKey of methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate?
The InChIKey is RSINDXBEWCKFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-20-16(19)9-10-17-15(18)11-21-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-11H2,1H3,(H,17,18).
What are the key properties of methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate?
methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate has a molecular weight of 287.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate is sourced from PubChem (CID 26635464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).