ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate

C16H18N2O4 — CID 15532326

IUPACethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate
SMILESCCOC(=O)NN(C(=O)OCC)c1cccc2ccccc12
InChIInChI=1S/C16H18N2O4/c1-3-21-15(19)17-18(16(20)22-4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3,(H,17,19)
InChIKeyOHWNGCQKHBRCFA-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.46
Rot. Bonds3

About ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate

ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate (PubChem CID 15532326) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate
PubChem CID15532326
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate
SMILESCCOC(=O)NN(C(=O)OCC)c1cccc2ccccc12
InChIInChI=1S/C16H18N2O4/c1-3-21-15(19)17-18(16(20)22-4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3,(H,17,19)
InChIKeyOHWNGCQKHBRCFA-UHFFFAOYSA-N
XLogP3.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
CID 138084079
ethyl N-(ethoxycarbonylamino)-N-(3-methylimidazo[1,5-a]pyridin-1-yl)carbamate
CID 10780963
ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate
CID 66870694
propyl N-methyl-N-naphthalen-1-ylcarbamate
CID 71338053
diethyl 2-[2-[acetyl(naphthalen-1-yl)amino]ethyl]propanedioate
CID 177413692
ethyl 2-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]sulfanylacetate
CID 78760483
ethyl N-(ethoxycarbonylamino)-N-(4-hydroxy-3-methoxyphenyl)carbamate
CID 101228986
ethyl N-(2-methylnaphthalen-1-yl)carbamate
CID 171853862
ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate
CID 71506938
3-amino-1-methyl-1-naphthalen-1-ylurea
CID 115192586
ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate
CID 5399199
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 12734045

Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate (CID 15532326) is ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate is CCOC(=O)NN(C(=O)OCC)c1cccc2ccccc12.
What is the InChIKey of ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate?
The InChIKey is OHWNGCQKHBRCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-21-15(19)17-18(16(20)22-4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3,(H,17,19).
What are the key properties of ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate?
ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate has a molecular weight of 302.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylamino)-N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 15532326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).