methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate

C22H22N2O3 — CID 9397461

IUPACmethyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C22H22N2O3/c1-15(17-12-7-9-16-8-3-4-10-18(16)17)23-14-21(25)24-20-13-6-5-11-19(20)22(26)27-2/h3-13,15,23H,14H2,1-2H3,(H,24,25)/t15-/m1/s1
InChIKeyRQKDXCJAPSKJRO-OAHLLOKOSA-N
MW362.43 g/mol
LogP3.92
Rot. Bonds6

About methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate

methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate (PubChem CID 9397461) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate
PubChem CID9397461
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Namemethyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C22H22N2O3/c1-15(17-12-7-9-16-8-3-4-10-18(16)17)23-14-21(25)24-20-13-6-5-11-19(20)22(26)27-2/h3-13,15,23H,14H2,1-2H3,(H,24,25)/t15-/m1/s1
InChIKeyRQKDXCJAPSKJRO-OAHLLOKOSA-N
XLogP3.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397269
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-(2-phenylphenyl)acetamide
CID 9397796
N-(2-methoxy-5-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396925
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396682
N-(2,4-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397239
N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986
N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide
CID 41187985
N-(3-methoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396909
N-(3,5-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397108
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396912

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate (CID 9397461) is methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN[C@H](C)c1cccc2ccccc12.
What is the InChIKey of methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate?
The InChIKey is RQKDXCJAPSKJRO-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15(17-12-7-9-16-8-3-4-10-18(16)17)23-14-21(25)24-20-13-6-5-11-19(20)22(26)27-2/h3-13,15,23H,14H2,1-2H3,(H,24,25)/t15-/m1/s1.
What are the key properties of methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate?
methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate has a molecular weight of 362.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate is sourced from PubChem (CID 9397461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).