ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate

C23H24N2O4 — CID 42989119

IUPACethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)NC(C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H24N2O4/c1-3-28-23(27)25-20-9-6-10-21(14-20)29-15-22(26)24-16(2)18-12-11-17-7-4-5-8-19(17)13-18/h4-14,16H,3,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGSHWJFCDGGTTEW-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.66
Rot. Bonds7

About ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate

ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate (PubChem CID 42989119) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate
PubChem CID42989119
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Nameethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)NC(C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H24N2O4/c1-3-28-23(27)25-20-9-6-10-21(14-20)29-15-22(26)24-16(2)18-12-11-17-7-4-5-8-19(17)13-18/h4-14,16H,3,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGSHWJFCDGGTTEW-UHFFFAOYSA-N
XLogP4.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710
2-(3-methoxyphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112779282
2-(3,5-dimethoxyphenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 7714005
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 94843861
ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate
CID 30011225
N-[(1R)-1-naphthalen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 7733632
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
CID 35775899
2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 42900557
N-[1-(4-chlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 42989419
ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate
CID 29183042

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate (CID 42989119) is ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate is CCOC(=O)Nc1cccc(OCC(=O)NC(C)c2ccc3ccccc3c2)c1.
What is the InChIKey of ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate?
The InChIKey is GSHWJFCDGGTTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-28-23(27)25-20-9-6-10-21(14-20)29-15-22(26)24-16(2)18-12-11-17-7-4-5-8-19(17)13-18/h4-14,16H,3,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate?
ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate has a molecular weight of 392.46 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate is sourced from PubChem (CID 42989119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).