2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate

C20H18N2O5 — CID 6734368

IUPAC2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
SMILESO=C(C=Cc1ccco1)NNC(=O)OCCOc1ccc2ccccc2c1
InChIInChI=1S/C20H18N2O5/c23-19(10-9-17-6-3-11-25-17)21-22-20(24)27-13-12-26-18-8-7-15-4-1-2-5-16(15)14-18/h1-11,14H,12-13H2,(H,21,23)(H,22,24)
InChIKeyPMMVWGAINSLRSL-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.28
Rot. Bonds6

About 2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate

2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate (PubChem CID 6734368) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate.

Molecular Properties

Compound Name2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
PubChem CID6734368
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
SMILESO=C(C=Cc1ccco1)NNC(=O)OCCOc1ccc2ccccc2c1
InChIInChI=1S/C20H18N2O5/c23-19(10-9-17-6-3-11-25-17)21-22-20(24)27-13-12-26-18-8-7-15-4-1-2-5-16(15)14-18/h1-11,14H,12-13H2,(H,21,23)(H,22,24)
InChIKeyPMMVWGAINSLRSL-UHFFFAOYSA-N
XLogP3.28
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 45109657
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 6735862
tert-butyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 4876281
tert-butyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 2543493
(E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 5291630
N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 922444
(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 24533349
ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate
CID 4158444
N-[(Z)-furan-2-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5405073
N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-naphthalen-2-yloxyacetamide
CID 129441481
(E)-N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 6123131
[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 5446419

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate?
The IUPAC name of 2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate (CID 6734368) is 2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate.
What is the SMILES notation for 2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate?
The canonical SMILES for 2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate is O=C(C=Cc1ccco1)NNC(=O)OCCOc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate?
The InChIKey is PMMVWGAINSLRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-19(10-9-17-6-3-11-25-17)21-22-20(24)27-13-12-26-18-8-7-15-4-1-2-5-16(15)14-18/h1-11,14H,12-13H2,(H,21,23)(H,22,24).
What are the key properties of 2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate?
2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate has a molecular weight of 366.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate is sourced from PubChem (CID 6734368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).