(N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate

C22H17N3O2 — CID 68502667

IUPAC(N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate
SMILESN/C(=N\c1cccc2ccccc12)OC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H17N3O2/c23-21(24-19-13-5-9-15-7-1-3-11-17(15)19)27-22(26)25-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H2,23,24)(H,25,26)
InChIKeyFAQRYCIVPRJWGU-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.19
Rot. Bonds2

About (N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate

(N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate (PubChem CID 68502667) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is (N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name(N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate
PubChem CID68502667
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name(N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate
SMILESN/C(=N\c1cccc2ccccc12)OC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H17N3O2/c23-21(24-19-13-5-9-15-7-1-3-11-17(15)19)27-22(26)25-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H2,23,24)(H,25,26)
InChIKeyFAQRYCIVPRJWGU-UHFFFAOYSA-N
XLogP5.19
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

naphthalen-1-ylurea;hydrochloride
CID 141142203
[(E)-[(3E)-3-(naphthalen-1-ylcarbamoyloxyimino)butan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 43835675
(2-carbamoylphenyl) N-naphthalen-1-ylcarbamate
CID 4121359
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine
CID 142680141
2-amino-N-naphthalen-1-ylacetamide;hydrochloride
CID 47003070
(naphthalen-1-ylamino) carbamate
CID 57425997
ethyl (E)-3-(naphthalen-1-ylamino)-2-(naphthalen-1-yliminomethyl)but-2-enoate
CID 139070859
1-naphthalen-1-yl-2-propan-2-ylguanidine
CID 55068402
2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate
CID 79337527

Frequently Asked Questions

What is the IUPAC name of (N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate?
The IUPAC name of (N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate (CID 68502667) is (N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate.
What is the SMILES notation for (N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate?
The canonical SMILES for (N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate is N/C(=N\c1cccc2ccccc12)OC(=O)Nc1cccc2ccccc12.
What is the InChIKey of (N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate?
The InChIKey is FAQRYCIVPRJWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c23-21(24-19-13-5-9-15-7-1-3-11-17(15)19)27-22(26)25-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,(H2,23,24)(H,25,26).
What are the key properties of (N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate?
(N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate has a molecular weight of 355.40 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N'-naphthalen-1-ylcarbamimidoyl) N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 68502667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).