N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline

C32H42N2O3 — CID 153391619

IUPACN-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline
SMILESCCCC(CC)CCCOc1cccc(Nc2ccc(OCc3ccccc3)cc2N2CCOCC2)c1
InChIInChI=1S/C32H42N2O3/c1-3-10-26(4-2)13-9-20-36-29-15-8-14-28(23-29)33-31-17-16-30(37-25-27-11-6-5-7-12-27)24-32(31)34-18-21-35-22-19-34/h5-8,11-12,14-17,23-24,26,33H,3-4,9-10,13,18-22,25H2,1-2H3
InChIKeyCGKIWNOHYIXCQF-UHFFFAOYSA-N
MW502.70 g/mol
LogP7.83
Rot. Bonds14

About N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline

N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline (PubChem CID 153391619) has the molecular formula C32H42N2O3 and a molecular weight of 502.70 g/mol. Its IUPAC name is N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline
PubChem CID153391619
Molecular FormulaC32H42N2O3
Molecular Weight502.70 g/mol
Exact Mass502.32
IUPAC NameN-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline
SMILESCCCC(CC)CCCOc1cccc(Nc2ccc(OCc3ccccc3)cc2N2CCOCC2)c1
InChIInChI=1S/C32H42N2O3/c1-3-10-26(4-2)13-9-20-36-29-15-8-14-28(23-29)33-31-17-16-30(37-25-27-11-6-5-7-12-27)24-32(31)34-18-21-35-22-19-34/h5-8,11-12,14-17,23-24,26,33H,3-4,9-10,13,18-22,25H2,1-2H3
InChIKeyCGKIWNOHYIXCQF-UHFFFAOYSA-N
XLogP7.83
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline 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

2-(3-ethylhexylamino)-2-[3-(4-phenylmethoxy-2-propan-2-ylanilino)phenyl]acetic acid
CID 153391706
N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
CID 146295838
4-ethyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]heptanamide
CID 153391618
N-phenyl-3-propoxyaniline
CID 71334741
4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid
CID 169410438
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461
7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54490718
4-[2-(3-phenylmethoxypropoxy)phenyl]morpholine
CID 167513814
1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
CID 70695574
2-morpholin-4-yl-5-[(4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 4727902

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline?
The IUPAC name of N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline (CID 153391619) is N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline.
What is the SMILES notation for N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline?
The canonical SMILES for N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline is CCCC(CC)CCCOc1cccc(Nc2ccc(OCc3ccccc3)cc2N2CCOCC2)c1.
What is the InChIKey of N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline?
The InChIKey is CGKIWNOHYIXCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O3/c1-3-10-26(4-2)13-9-20-36-29-15-8-14-28(23-29)33-31-17-16-30(37-25-27-11-6-5-7-12-27)24-32(31)34-18-21-35-22-19-34/h5-8,11-12,14-17,23-24,26,33H,3-4,9-10,13,18-22,25H2,1-2H3.
What are the key properties of N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline?
N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline has a molecular weight of 502.70 g/mol, XLogP of 7.83, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylheptoxy)phenyl]-2-morpholin-4-yl-4-phenylmethoxyaniline is sourced from PubChem (CID 153391619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).