methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate

C22H22N2O3 — CID 19963470

IUPACmethyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate
SMILESCOC(=O)C(CNC(=O)NCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H22N2O3/c1-27-21(25)20(19-13-7-11-17-10-5-6-12-18(17)19)15-24-22(26)23-14-16-8-3-2-4-9-16/h2-13,20H,14-15H2,1H3,(H2,23,24,26)
InChIKeyZWKLRBZFAMNWEE-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.60
Rot. Bonds6

About methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate

methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate (PubChem CID 19963470) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate
PubChem CID19963470
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Namemethyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate
SMILESCOC(=O)C(CNC(=O)NCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H22N2O3/c1-27-21(25)20(19-13-7-11-17-10-5-6-12-18(17)19)15-24-22(26)23-14-16-8-3-2-4-9-16/h2-13,20H,14-15H2,1H3,(H2,23,24,26)
InChIKeyZWKLRBZFAMNWEE-UHFFFAOYSA-N
XLogP3.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate 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 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24664488
methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate
CID 20726922
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
methyl 3,3,3-trichloro-2-naphthalen-1-ylpropanoate
CID 174899487
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylpropanoic acid
CID 75365708
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
2-naphthalen-1-yl-3-phenylpropanamide
CID 141457606
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate?
The IUPAC name of methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate (CID 19963470) is methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate.
What is the SMILES notation for methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate?
The canonical SMILES for methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate is COC(=O)C(CNC(=O)NCc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate?
The InChIKey is ZWKLRBZFAMNWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-27-21(25)20(19-13-7-11-17-10-5-6-12-18(17)19)15-24-22(26)23-14-16-8-3-2-4-9-16/h2-13,20H,14-15H2,1H3,(H2,23,24,26).
What are the key properties of methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate?
methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate has a molecular weight of 362.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate is sourced from PubChem (CID 19963470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).