methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate

C22H21NO4 — CID 110169903

IUPACmethyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C22H21NO4/c1-26-20-11-10-17-12-19(9-8-18(17)13-20)22(25)23(15-21(24)27-2)14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3
InChIKeyOFTNKEGAWQUWSD-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.66
Rot. Bonds6

About methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate

methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate (PubChem CID 110169903) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate
PubChem CID110169903
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Namemethyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C22H21NO4/c1-26-20-11-10-17-12-19(9-8-18(17)13-20)22(25)23(15-21(24)27-2)14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3
InChIKeyOFTNKEGAWQUWSD-UHFFFAOYSA-N
XLogP3.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide
CID 101420870
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate
CID 61109705
6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
CID 142841274
N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 126373552
N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 55594329
methyl 2-[benzyl-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]acetate
CID 55816943
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate (CID 110169903) is methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate is COC(=O)CN(Cc1ccccc1)C(=O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate?
The InChIKey is OFTNKEGAWQUWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-26-20-11-10-17-12-19(9-8-18(17)13-20)22(25)23(15-21(24)27-2)14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3.
What are the key properties of methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate?
methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate has a molecular weight of 363.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate is sourced from PubChem (CID 110169903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).