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

C20H19N3O2 — CID 54846158

IUPACN-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19N3O2/c1-21-20(25)15-7-9-17(10-8-15)22-13-19(24)23-18-11-6-14-4-2-3-5-16(14)12-18/h2-12,22H,13H2,1H3,(H,21,25)(H,23,24)
InChIKeyNJUSIOHAUYRYEU-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.25
Rot. Bonds5

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

N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide (PubChem CID 54846158) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
PubChem CID54846158
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19N3O2/c1-21-20(25)15-7-9-17(10-8-15)22-13-19(24)23-18-11-6-14-4-2-3-5-16(14)12-18/h2-12,22H,13H2,1H3,(H,21,25)(H,23,24)
InChIKeyNJUSIOHAUYRYEU-UHFFFAOYSA-N
XLogP3.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54836423
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838200
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54823116
N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
CID 54839752
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846187
4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846121
methyl 4-[[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 33159218
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 31761155

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide (CID 54846158) is N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide is CNC(=O)c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is NJUSIOHAUYRYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-21-20(25)15-7-9-17(10-8-15)22-13-19(24)23-18-11-6-14-4-2-3-5-16(14)12-18/h2-12,22H,13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide?
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 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]benzamide is sourced from PubChem (CID 54846158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).