[1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid

C23H18N2O3 — CID 67364579

IUPAC[1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc2ccccc2c1-c1c(C(N)=O)ccc2ccccc12
InChIInChI=1S/C23H18N2O3/c1-25(23(27)28)19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22(24)26/h2-13H,1H3,(H2,24,26)(H,27,28)
InChIKeyAFYBXEJAADOJRL-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.87
Rot. Bonds3

About [1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid

[1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid (PubChem CID 67364579) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is [1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid
PubChem CID67364579
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name[1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc2ccccc2c1-c1c(C(N)=O)ccc2ccccc12
InChIInChI=1S/C23H18N2O3/c1-25(23(27)28)19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22(24)26/h2-13H,1H3,(H2,24,26)(H,27,28)
InChIKeyAFYBXEJAADOJRL-UHFFFAOYSA-N
XLogP4.87
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 132557568
1-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 101266046
1-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 163481730
bis(1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid);bis(1,4-dioxane)
CID 139146760
(2-iodonaphthalen-1-yl)-methylcarbamic acid
CID 70558210
CID 129133768
CID 129133768
[2-(hydroxymethyl)phenyl]-methylcarbamic acid
CID 18370050
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
CID 11403549
2-aminopropanoic acid;naphthalene-1-carboxamide
CID 174834976
1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 14340492
1-(2-carboxylatonaphthalen-1-yl)naphthalene-2-carboxylate;bis(diethylazanium)
CID 139198087

Frequently Asked Questions

What is the IUPAC name of [1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid?
The IUPAC name of [1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid (CID 67364579) is [1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid.
What is the SMILES notation for [1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid?
The canonical SMILES for [1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid is CN(C(=O)O)c1ccc2ccccc2c1-c1c(C(N)=O)ccc2ccccc12.
What is the InChIKey of [1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid?
The InChIKey is AFYBXEJAADOJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-25(23(27)28)19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22(24)26/h2-13H,1H3,(H2,24,26)(H,27,28).
What are the key properties of [1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid?
[1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid has a molecular weight of 370.41 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid is sourced from PubChem (CID 67364579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).