ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate

C15H23NO3 — CID 79040770

IUPACethyl 2-[(3-methoxyphenyl)methylamino]pentanoate
SMILESCCCC(NCc1cccc(OC)c1)C(=O)OCC
InChIInChI=1S/C15H23NO3/c1-4-7-14(15(17)19-5-2)16-11-12-8-6-9-13(10-12)18-3/h6,8-10,14,16H,4-5,7,11H2,1-3H3
InChIKeyHTINMFHIBCPUGM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.52
Rot. Bonds8

About ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate

ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate (PubChem CID 79040770) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(3-methoxyphenyl)methylamino]pentanoate
PubChem CID79040770
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-[(3-methoxyphenyl)methylamino]pentanoate
SMILESCCCC(NCc1cccc(OC)c1)C(=O)OCC
InChIInChI=1S/C15H23NO3/c1-4-7-14(15(17)19-5-2)16-11-12-8-6-9-13(10-12)18-3/h6,8-10,14,16H,4-5,7,11H2,1-3H3
InChIKeyHTINMFHIBCPUGM-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate 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

(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
(2S)-2-[(3-methoxyphenyl)methylamino]pentanedioic acid
CID 10683241
diethyl 2-[[3-[[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]methyl]phenyl]methylamino]butanedioate
CID 90442136
ethyl 2-chloro-3-[(3-methoxyphenyl)methylamino]propanoate
CID 121473132
ethyl 2-[(3-methylphenyl)methylamino]butanoate
CID 64669137
(2S)-2-[(3-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid
CID 167496540
2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid
CID 120509588
2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]pentanoic acid
CID 120509529
methyl 2-[(3-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690958
ethyl 2-[(3-bromophenyl)methylamino]butanoate
CID 64669533
ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 61498264
N-[(3-methoxyphenyl)methyl]-2-methylhexanamide
CID 163830422

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate?
The IUPAC name of ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate (CID 79040770) is ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate.
What is the SMILES notation for ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate?
The canonical SMILES for ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate is CCCC(NCc1cccc(OC)c1)C(=O)OCC.
What is the InChIKey of ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate?
The InChIKey is HTINMFHIBCPUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-7-14(15(17)19-5-2)16-11-12-8-6-9-13(10-12)18-3/h6,8-10,14,16H,4-5,7,11H2,1-3H3.
What are the key properties of ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate?
ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate has a molecular weight of 265.35 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methoxyphenyl)methylamino]pentanoate is sourced from PubChem (CID 79040770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).