2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide

C14H17N3O2 — CID 116849020

IUPAC2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide
SMILESCOc1ccc2cc(C(N)C(=O)N(C)N)ccc2c1
InChIInChI=1S/C14H17N3O2/c1-17(16)14(18)13(15)11-4-3-10-8-12(19-2)6-5-9(10)7-11/h3-8,13H,15-16H2,1-2H3
InChIKeyGKDMUKFTSMXESQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.18
Rot. Bonds3

About 2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide

2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide (PubChem CID 116849020) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide
PubChem CID116849020
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide
SMILESCOc1ccc2cc(C(N)C(=O)N(C)N)ccc2c1
InChIInChI=1S/C14H17N3O2/c1-17(16)14(18)13(15)11-4-3-10-8-12(19-2)6-5-9(10)7-11/h3-8,13H,15-16H2,1-2H3
InChIKeyGKDMUKFTSMXESQ-UHFFFAOYSA-N
XLogP1.18
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420
2-amino-2-(6-methoxynaphthalen-2-yl)-N'-methylacetohydrazide
CID 116849464
(3R)-3-amino-3-(6-methoxynaphthalen-2-yl)propanamide
CID 29060145
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
6-methoxy-N-methylnaphthalene-2-carbohydrazide
CID 116845699
methoxy-(6-methoxynaphthalen-2-yl)methanamine
CID 116947369
3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide
CID 121344916
ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate
CID 135011770
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 134712158
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl] 4-methoxybenzoate
CID 88878304

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide?
The IUPAC name of 2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide (CID 116849020) is 2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide.
What is the SMILES notation for 2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide?
The canonical SMILES for 2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide is COc1ccc2cc(C(N)C(=O)N(C)N)ccc2c1.
What is the InChIKey of 2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide?
The InChIKey is GKDMUKFTSMXESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(16)14(18)13(15)11-4-3-10-8-12(19-2)6-5-9(10)7-11/h3-8,13H,15-16H2,1-2H3.
What are the key properties of 2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide?
2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide has a molecular weight of 259.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide is sourced from PubChem (CID 116849020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).