naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate

C22H21NO4 — CID 7827559

IUPACnaphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)OCc1cccc2ccccc12
InChIInChI=1S/C22H21NO4/c1-26-20-12-5-4-11-19(20)22(25)23-14-13-21(24)27-15-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-15H2,1H3,(H,23,25)
InChIKeyVWMSIZYAADHNDH-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.71
Rot. Bonds7

About naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate

naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate (PubChem CID 7827559) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate
PubChem CID7827559
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Namenaphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)OCc1cccc2ccccc12
InChIInChI=1S/C22H21NO4/c1-26-20-12-5-4-11-19(20)22(25)23-14-13-21(24)27-15-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-15H2,1H3,(H,23,25)
InChIKeyVWMSIZYAADHNDH-UHFFFAOYSA-N
XLogP3.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827643
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827628
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827574
imidazo[1,2-a]pyridin-2-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827556
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827687
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899325
[2-(3-fluorophenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 8676064
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827573
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827724

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate?
The IUPAC name of naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate (CID 7827559) is naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate?
The canonical SMILES for naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate is COc1ccccc1C(=O)NCCC(=O)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate?
The InChIKey is VWMSIZYAADHNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-26-20-12-5-4-11-19(20)22(25)23-14-13-21(24)27-15-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-15H2,1H3,(H,23,25).
What are the key properties of naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate?
naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate has a molecular weight of 363.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 7827559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).