N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide

C26H23N3O2 — CID 54839752

IUPACN-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
SMILESO=C(CNc1ccc2ccccc2c1)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H23N3O2/c30-25(18-27-24-15-10-20-8-4-5-9-22(20)16-24)29-23-13-11-21(12-14-23)26(31)28-17-19-6-2-1-3-7-19/h1-16,27H,17-18H2,(H,28,31)(H,29,30)
InChIKeyQIGIMNSYHYMNLX-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.82
Rot. Bonds7

About N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide

N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide (PubChem CID 54839752) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
PubChem CID54839752
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
SMILESO=C(CNc1ccc2ccccc2c1)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H23N3O2/c30-25(18-27-24-15-10-20-8-4-5-9-22(20)16-24)29-23-13-11-21(12-14-23)26(31)28-17-19-6-2-1-3-7-19/h1-16,27H,17-18H2,(H,28,31)(H,29,30)
InChIKeyQIGIMNSYHYMNLX-UHFFFAOYSA-N
XLogP4.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840404
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 54844035
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844716
N-benzyl-4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]benzamide
CID 54829711
N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54843914
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844536
N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823265
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide (CID 54839752) is N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide is O=C(CNc1ccc2ccccc2c1)Nc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide?
The InChIKey is QIGIMNSYHYMNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-25(18-27-24-15-10-20-8-4-5-9-22(20)16-24)29-23-13-11-21(12-14-23)26(31)28-17-19-6-2-1-3-7-19/h1-16,27H,17-18H2,(H,28,31)(H,29,30).
What are the key properties of N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide?
N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide has a molecular weight of 409.49 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54839752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).