4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide

C21H21N3O2 — CID 9397279

IUPAC4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide
SMILESC[C@H](NCC(=O)Nc1ccc(C(N)=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C21H21N3O2/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)23-13-20(25)24-17-11-9-16(10-12-17)21(22)26/h2-12,14,23H,13H2,1H3,(H2,22,26)(H,24,25)/t14-/m0/s1
InChIKeyHWAKCOATOSGALK-AWEZNQCLSA-N
MW347.42 g/mol
LogP3.23
Rot. Bonds6

About 4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide

4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide (PubChem CID 9397279) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide
PubChem CID9397279
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide
SMILESC[C@H](NCC(=O)Nc1ccc(C(N)=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C21H21N3O2/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)23-13-20(25)24-17-11-9-16(10-12-17)21(22)26/h2-12,14,23H,13H2,1H3,(H2,22,26)(H,24,25)/t14-/m0/s1
InChIKeyHWAKCOATOSGALK-AWEZNQCLSA-N
XLogP3.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986
N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396912
N-(4-ethoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397488
N-(3,5-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397108
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9397574
4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide
CID 86976453
N-(3-methoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396909
4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 46633439
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467013
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396732
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-(2-phenylphenyl)acetamide
CID 9397796

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide (CID 9397279) is 4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide is C[C@H](NCC(=O)Nc1ccc(C(N)=O)cc1)c1cccc2ccccc12.
What is the InChIKey of 4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide?
The InChIKey is HWAKCOATOSGALK-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)23-13-20(25)24-17-11-9-16(10-12-17)21(22)26/h2-12,14,23H,13H2,1H3,(H2,22,26)(H,24,25)/t14-/m0/s1.
What are the key properties of 4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide?
4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 9397279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).