oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine

C20H25NO5 — CID 2923477

IUPACoxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine
SMILESCCCCNCCOc1ccccc1-c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C18H23NO.C2H2O4/c1-2-3-13-19-14-15-20-18-12-8-7-11-17(18)16-9-5-4-6-10-16;3-1(4)2(5)6/h4-12,19H,2-3,13-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyUSLFOCKQPCOBBW-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.28
Rot. Bonds8

About oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine

oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine (PubChem CID 2923477) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Nameoxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine
PubChem CID2923477
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Nameoxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine
SMILESCCCCNCCOc1ccccc1-c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C18H23NO.C2H2O4/c1-2-3-13-19-14-15-20-18-12-8-7-11-17(18)16-9-5-4-6-10-16;3-1(4)2(5)6/h4-12,19H,2-3,13-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyUSLFOCKQPCOBBW-UHFFFAOYSA-N
XLogP3.28
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine 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

N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314
N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 6460057
1-octadecoxy-2-phenylbenzene
CID 70983974
3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2298387
N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
CID 2299976
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
CID 2233000
2-methyl-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine
CID 62449849
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine;oxalic acid
CID 44782341
1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid
CID 2961405

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine?
The IUPAC name of oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine (CID 2923477) is oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine.
What is the SMILES notation for oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine?
The canonical SMILES for oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine is CCCCNCCOc1ccccc1-c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine?
The InChIKey is USLFOCKQPCOBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.C2H2O4/c1-2-3-13-19-14-15-20-18-12-8-7-11-17(18)16-9-5-4-6-10-16;3-1(4)2(5)6/h4-12,19H,2-3,13-15H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine?
oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine has a molecular weight of 359.42 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine is sourced from PubChem (CID 2923477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).