N,N-diethyl-2-(naphthalen-1-ylamino)benzamide

C21H22N2O — CID 86200085

IUPACN,N-diethyl-2-(naphthalen-1-ylamino)benzamide
SMILESCCN(CC)C(=O)c1ccccc1Nc1cccc2ccccc12
InChIInChI=1S/C21H22N2O/c1-3-23(4-2)21(24)18-13-7-8-14-20(18)22-19-15-9-11-16-10-5-6-12-17(16)19/h5-15,22H,3-4H2,1-2H3
InChIKeyFXWCSRVTOXGUAK-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.07
Rot. Bonds5

About N,N-diethyl-2-(naphthalen-1-ylamino)benzamide

N,N-diethyl-2-(naphthalen-1-ylamino)benzamide (PubChem CID 86200085) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N,N-diethyl-2-(naphthalen-1-ylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-(naphthalen-1-ylamino)benzamide
PubChem CID86200085
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN,N-diethyl-2-(naphthalen-1-ylamino)benzamide
SMILESCCN(CC)C(=O)c1ccccc1Nc1cccc2ccccc12
InChIInChI=1S/C21H22N2O/c1-3-23(4-2)21(24)18-13-7-8-14-20(18)22-19-15-9-11-16-10-5-6-12-17(16)19/h5-15,22H,3-4H2,1-2H3
InChIKeyFXWCSRVTOXGUAK-UHFFFAOYSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
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1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
CID 2827367
N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide
CID 43319197
1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine
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CID 50850160

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(naphthalen-1-ylamino)benzamide?
The IUPAC name of N,N-diethyl-2-(naphthalen-1-ylamino)benzamide (CID 86200085) is N,N-diethyl-2-(naphthalen-1-ylamino)benzamide.
What is the SMILES notation for N,N-diethyl-2-(naphthalen-1-ylamino)benzamide?
The canonical SMILES for N,N-diethyl-2-(naphthalen-1-ylamino)benzamide is CCN(CC)C(=O)c1ccccc1Nc1cccc2ccccc12.
What is the InChIKey of N,N-diethyl-2-(naphthalen-1-ylamino)benzamide?
The InChIKey is FXWCSRVTOXGUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-3-23(4-2)21(24)18-13-7-8-14-20(18)22-19-15-9-11-16-10-5-6-12-17(16)19/h5-15,22H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-(naphthalen-1-ylamino)benzamide?
N,N-diethyl-2-(naphthalen-1-ylamino)benzamide has a molecular weight of 318.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(naphthalen-1-ylamino)benzamide is sourced from PubChem (CID 86200085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).