N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide

C26H23N3O2 — CID 54838200

IUPACN-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1)c1ccccc1
InChIInChI=1S/C26H23N3O2/c1-29(24-9-3-2-4-10-24)26(31)20-12-14-22(15-13-20)27-18-25(30)28-23-16-11-19-7-5-6-8-21(19)17-23/h2-17,27H,18H2,1H3,(H,28,30)
InChIKeyGDLSQMIXAZNMIF-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.17
Rot. Bonds6

About N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide

N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide (PubChem CID 54838200) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
PubChem CID54838200
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1)c1ccccc1
InChIInChI=1S/C26H23N3O2/c1-29(24-9-3-2-4-10-24)26(31)20-12-14-22(15-13-20)27-18-25(30)28-23-16-11-19-7-5-6-8-21(19)17-23/h2-17,27H,18H2,1H3,(H,28,30)
InChIKeyGDLSQMIXAZNMIF-UHFFFAOYSA-N
XLogP5.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838445
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838604
N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838477
N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide
CID 54833224
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54846158
N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838448
N-methyl-2-(naphthalen-2-ylamino)-N-phenylacetamide
CID 26417147
N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54838526
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838199

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide?
The IUPAC name of N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide (CID 54838200) is N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide is CN(C(=O)c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1)c1ccccc1.
What is the InChIKey of N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide?
The InChIKey is GDLSQMIXAZNMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-29(24-9-3-2-4-10-24)26(31)20-12-14-22(15-13-20)27-18-25(30)28-23-16-11-19-7-5-6-8-21(19)17-23/h2-17,27H,18H2,1H3,(H,28,30).
What are the key properties of N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide?
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide has a molecular weight of 409.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54838200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).