methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate

C24H24ClN3O4 — CID 20714751

IUPACmethyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate
SMILESCOC(=O)C(CN)NC(=O)c1ccc(C(=O)NC(C)c2cccc3ccccc23)cc1Cl
InChIInChI=1S/C24H24ClN3O4/c1-14(17-9-5-7-15-6-3-4-8-18(15)17)27-22(29)16-10-11-19(20(25)12-16)23(30)28-21(13-26)24(31)32-2/h3-12,14,21H,13,26H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyPPACYGOWAQYYEH-UHFFFAOYSA-N
MW453.93 g/mol
LogP3.21
Rot. Bonds7

About methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate

methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate (PubChem CID 20714751) has the molecular formula C24H24ClN3O4 and a molecular weight of 453.93 g/mol. Its IUPAC name is methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate
PubChem CID20714751
Molecular FormulaC24H24ClN3O4
Molecular Weight453.93 g/mol
Exact Mass453.15
IUPAC Namemethyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate
SMILESCOC(=O)C(CN)NC(=O)c1ccc(C(=O)NC(C)c2cccc3ccccc23)cc1Cl
InChIInChI=1S/C24H24ClN3O4/c1-14(17-9-5-7-15-6-3-4-8-18(15)17)27-22(29)16-10-11-19(20(25)12-16)23(30)28-21(13-26)24(31)32-2/h3-12,14,21H,13,26H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyPPACYGOWAQYYEH-UHFFFAOYSA-N
XLogP3.21
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate with MolForge

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Related Compounds

2-[[2-chloro-4-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoyl]amino]-2-dimethoxyphosphorylacetic acid
CID 59038392
methyl 3-amino-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoate
CID 20610073
3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 59038441
methyl (2S)-3-amino-2-[(4-amino-3-chlorobenzoyl)amino]propanoate
CID 68641791
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
methyl 2-[[2,6-dimethyl-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoate
CID 22661325
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride
CID 170337610
3-(3-hydroxyprop-1-ynyl)-N-(1-naphthalen-1-ylethyl)benzamide
CID 155963043
N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 43853062
3-[2-(2-methoxyethoxy)ethoxy]-4-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231476

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate (CID 20714751) is methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate is COC(=O)C(CN)NC(=O)c1ccc(C(=O)NC(C)c2cccc3ccccc23)cc1Cl.
What is the InChIKey of methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate?
The InChIKey is PPACYGOWAQYYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4/c1-14(17-9-5-7-15-6-3-4-8-18(15)17)27-22(29)16-10-11-19(20(25)12-16)23(30)28-21(13-26)24(31)32-2/h3-12,14,21H,13,26H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate?
methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate has a molecular weight of 453.93 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[[2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoyl]amino]propanoate is sourced from PubChem (CID 20714751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).