methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate

C22H25NO2 — CID 142841781

IUPACmethyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)Cc1cccccccc(C)c1
InChIInChI=1S/C22H25NO2/c1-19-11-7-4-3-5-8-14-21(15-19)17-23(18-22(24)25-2)16-20-12-9-6-10-13-20/h3-15H,16-18H2,1-2H3/b4-3-,5-3-,7-4-,8-5+,11-7+,14-8+,19-11+,19-15-,21-14+,21-15+
InChIKeyRJZPRSOCPXTQAR-SUXRVFLFSA-N
MW335.45 g/mol
LogP4.29
Rot. Bonds6

About methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate

methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate (PubChem CID 142841781) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate
PubChem CID142841781
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Namemethyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)Cc1cccccccc(C)c1
InChIInChI=1S/C22H25NO2/c1-19-11-7-4-3-5-8-14-21(15-19)17-23(18-22(24)25-2)16-20-12-9-6-10-13-20/h3-15H,16-18H2,1-2H3/b4-3-,5-3-,7-4-,8-5+,11-7+,14-8+,19-11+,19-15-,21-14+,21-15+
InChIKeyRJZPRSOCPXTQAR-SUXRVFLFSA-N
XLogP4.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]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 3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoate
CID 115174419
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
methyl 2-[benzyl(prop-2-ynyl)amino]acetate
CID 87487327
methyl 2-[benzyl-[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]acetate
CID 55820086
methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952814
methyl 2-[[2-[bis(2-methoxy-2-oxoethyl)amino]-2-[[bis(2-methoxy-2-oxoethyl)amino]methyl]-3-(dibenzylamino)propyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 67493893
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
methyl 2-[(2-aminophenyl)methyl-[(4-methylphenyl)methyl]amino]acetate
CID 59049599
methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60565339
methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565095
methyl 2-[benzyl-[(2-iodonaphthalen-1-yl)methyl]amino]acetate
CID 102044855
2-(dibenzylamino)-N-methoxy-N-methylacetamide
CID 15314218

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate (CID 142841781) is methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate is COC(=O)CN(Cc1ccccc1)Cc1cccccccc(C)c1.
What is the InChIKey of methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate?
The InChIKey is RJZPRSOCPXTQAR-SUXRVFLFSA-N. The full InChI is InChI=1S/C22H25NO2/c1-19-11-7-4-3-5-8-14-21(15-19)17-23(18-22(24)25-2)16-20-12-9-6-10-13-20/h3-15H,16-18H2,1-2H3/b4-3-,5-3-,7-4-,8-5+,11-7+,14-8+,19-11+,19-15-,21-14+,21-15+.
What are the key properties of methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate?
methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate has a molecular weight of 335.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate is sourced from PubChem (CID 142841781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).