N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide

C27H25N3O2 — CID 54838962

IUPACN-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NCC(=O)Nc2cccc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C27H25N3O2/c1-2-30(23-14-4-3-5-15-23)27(32)21-12-8-13-22(18-21)28-19-26(31)29-25-17-9-11-20-10-6-7-16-24(20)25/h3-18,28H,2,19H2,1H3,(H,29,31)
InChIKeyFLGUGRMHXXNLKS-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.56
Rot. Bonds7

About N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide

N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide (PubChem CID 54838962) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
PubChem CID54838962
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NCC(=O)Nc2cccc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C27H25N3O2/c1-2-30(23-14-4-3-5-15-23)27(32)21-12-8-13-22(18-21)28-19-26(31)29-25-17-9-11-20-10-6-7-16-24(20)25/h3-18,28H,2,19H2,1H3,(H,29,31)
InChIKeyFLGUGRMHXXNLKS-UHFFFAOYSA-N
XLogP5.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838651
N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237
N-ethyl-3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54839058
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815218
N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823205
3-[[2-(dimethylamino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838774
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886
4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838181
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide?
The IUPAC name of N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide (CID 54838962) is N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide is CCN(C(=O)c1cccc(NCC(=O)Nc2cccc3ccccc23)c1)c1ccccc1.
What is the InChIKey of N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide?
The InChIKey is FLGUGRMHXXNLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-2-30(23-14-4-3-5-15-23)27(32)21-12-8-13-22(18-21)28-19-26(31)29-25-17-9-11-20-10-6-7-16-24(20)25/h3-18,28H,2,19H2,1H3,(H,29,31).
What are the key properties of N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide?
N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide has a molecular weight of 423.52 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54838962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).