ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate

C20H25NO3 — CID 118176686

IUPACethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate
SMILESCCOC(=O)CCNCc1ccc(OCc2cccc(C)c2)cc1
InChIInChI=1S/C20H25NO3/c1-3-23-20(22)11-12-21-14-17-7-9-19(10-8-17)24-15-18-6-4-5-16(2)13-18/h4-10,13,21H,3,11-12,14-15H2,1-2H3
InChIKeyZVODRKWBQNYDDZ-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.62
Rot. Bonds9

About ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate

ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate (PubChem CID 118176686) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate
PubChem CID118176686
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nameethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate
SMILESCCOC(=O)CCNCc1ccc(OCc2cccc(C)c2)cc1
InChIInChI=1S/C20H25NO3/c1-3-23-20(22)11-12-21-14-17-7-9-19(10-8-17)24-15-18-6-4-5-16(2)13-18/h4-10,13,21H,3,11-12,14-15H2,1-2H3
InChIKeyZVODRKWBQNYDDZ-UHFFFAOYSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]methylamino]propanoate
CID 118176664
N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019679
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797
3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
CID 119712227
ethyl 6-[4-(propylaminomethyl)phenoxy]hexanoate
CID 70696698
methyl 4-[[(3-ethoxy-3-oxopropyl)amino]methyl]benzoate
CID 60649490
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
CID 86051914
ethyl 4-[(4-methylphenyl)methylamino]butanoate
CID 60687567
(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide
CID 163564541
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate?
The IUPAC name of ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate (CID 118176686) is ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate?
The canonical SMILES for ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate is CCOC(=O)CCNCc1ccc(OCc2cccc(C)c2)cc1.
What is the InChIKey of ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate?
The InChIKey is ZVODRKWBQNYDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-23-20(22)11-12-21-14-17-7-9-19(10-8-17)24-15-18-6-4-5-16(2)13-18/h4-10,13,21H,3,11-12,14-15H2,1-2H3.
What are the key properties of ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate?
ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate has a molecular weight of 327.42 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate is sourced from PubChem (CID 118176686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).