2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid

C22H22N2O3 — CID 170337732

IUPAC2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
SMILESCC(NC(=O)c1ccccc1CCNC(=O)O)c1cccc2ccccc12
InChIInChI=1S/C22H22N2O3/c1-15(18-12-6-9-16-7-2-4-10-19(16)18)24-21(25)20-11-5-3-8-17(20)13-14-23-22(26)27/h2-12,15,23H,13-14H2,1H3,(H,24,25)(H,26,27)
InChIKeyOHZXDRTZHPTHLP-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.14
Rot. Bonds6

About 2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid

2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid (PubChem CID 170337732) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
PubChem CID170337732
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
SMILESCC(NC(=O)c1ccccc1CCNC(=O)O)c1cccc2ccccc12
InChIInChI=1S/C22H22N2O3/c1-15(18-12-6-9-16-7-2-4-10-19(16)18)24-21(25)20-11-5-3-8-17(20)13-14-23-22(26)27/h2-12,15,23H,13-14H2,1H3,(H,24,25)(H,26,27)
InChIKeyOHZXDRTZHPTHLP-UHFFFAOYSA-N
XLogP4.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride
CID 170337610
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
N-[(1R)-1-naphthalen-1-ylethyl]-2-[3-oxo-3-(2-prop-2-enoylhydrazinyl)propyl]benzamide
CID 170337643
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
N-(1-naphthalen-1-ylethyl)-2-(3-oxo-3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 170337608
3-[3-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]propanoylamino]azetidine-1-carboxylic acid
CID 170337641
2-hydroxyacetaldehyde;N'-[[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]methyl]-N-propyloxamide
CID 171821660
(E)-4-[4-[3-[2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]propanoyl]piperazin-1-yl]-4-oxobut-2-enoic acid
CID 170337684
2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide
CID 24624533
methyl 4-[2-[3-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]propanoyl]hydrazinyl]-4-oxobut-2-enoate
CID 172875329

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid?
The IUPAC name of 2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid (CID 170337732) is 2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid?
The canonical SMILES for 2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid is CC(NC(=O)c1ccccc1CCNC(=O)O)c1cccc2ccccc12.
What is the InChIKey of 2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid?
The InChIKey is OHZXDRTZHPTHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15(18-12-6-9-16-7-2-4-10-19(16)18)24-21(25)20-11-5-3-8-17(20)13-14-23-22(26)27/h2-12,15,23H,13-14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid?
2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid has a molecular weight of 362.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid is sourced from PubChem (CID 170337732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).