methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate

C16H18N2O3 — CID 8972630

IUPACmethyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate
SMILESCC/C(=N/NC(=O)OC)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H18N2O3/c1-4-15(17-18-16(19)21-3)13-6-5-12-10-14(20-2)8-7-11(12)9-13/h5-10H,4H2,1-3H3,(H,18,19)/b17-15-
InChIKeyDDFPFJIXQGYXBD-ICFOKQHNSA-N
MW286.33 g/mol
LogP3.32
Rot. Bonds4

About methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate

methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate (PubChem CID 8972630) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate
PubChem CID8972630
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate
SMILESCC/C(=N/NC(=O)OC)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H18N2O3/c1-4-15(17-18-16(19)21-3)13-6-5-12-10-14(20-2)8-7-11(12)9-13/h5-10H,4H2,1-3H3,(H,18,19)/b17-15-
InChIKeyDDFPFJIXQGYXBD-ICFOKQHNSA-N
XLogP3.32
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(Z)-C-ethyl-N-(methoxycarbonylamino)carbonimidoyl]phenoxy]acetate
CID 9075506
N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466889
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049
N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
CID 840640
2,2-dibromo-N-[(E)-1-(4-methoxyphenyl)propylideneamino]-1-methylcyclopropane-1-carboxamide
CID 17338093
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide
CID 5411890
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4286726
1-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8979246
methyl N-[1-(3-nitrophenyl)propylideneamino]carbamate
CID 91942410
N-[(E)-1-(4-methoxyphenyl)propylideneamino]decanamide
CID 6004456
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate (CID 8972630) is methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate is CC/C(=N/NC(=O)OC)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate?
The InChIKey is DDFPFJIXQGYXBD-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-15(17-18-16(19)21-3)13-6-5-12-10-14(20-2)8-7-11(12)9-13/h5-10H,4H2,1-3H3,(H,18,19)/b17-15-.
What are the key properties of methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate?
methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate has a molecular weight of 286.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate is sourced from PubChem (CID 8972630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).