N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide

C24H30ClNO4 — CID 52737970

IUPACN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCC1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C24H30ClNO4/c1-2-29-21-9-3-4-10-22(21)30-14-6-11-23(27)26-18-24(12-15-28-16-13-24)19-7-5-8-20(25)17-19/h3-5,7-10,17H,2,6,11-16,18H2,1H3,(H,26,27)
InChIKeyVGBRAVNJDVRYAM-UHFFFAOYSA-N
MW431.96 g/mol
LogP4.76
Rot. Bonds10

About N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide (PubChem CID 52737970) has the molecular formula C24H30ClNO4 and a molecular weight of 431.96 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide
PubChem CID52737970
Molecular FormulaC24H30ClNO4
Molecular Weight431.96 g/mol
Exact Mass431.19
IUPAC NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCC1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C24H30ClNO4/c1-2-29-21-9-3-4-10-22(21)30-14-6-11-23(27)26-18-24(12-15-28-16-13-24)19-7-5-8-20(25)17-19/h3-5,7-10,17H,2,6,11-16,18H2,1H3,(H,26,27)
InChIKeyVGBRAVNJDVRYAM-UHFFFAOYSA-N
XLogP4.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide 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

4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 171138751
(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
CID 94669671
(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
(E)-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 98935884
N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide
CID 119749852
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
CID 110441339
2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119749920
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]octanamide
CID 60535695
(E)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-phenylprop-2-enamide
CID 60576380
2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 133186777
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 51125078

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide?
The IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide (CID 52737970) is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide?
The canonical SMILES for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide is CCOc1ccccc1OCCCC(=O)NCC1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide?
The InChIKey is VGBRAVNJDVRYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClNO4/c1-2-29-21-9-3-4-10-22(21)30-14-6-11-23(27)26-18-24(12-15-28-16-13-24)19-7-5-8-20(25)17-19/h3-5,7-10,17H,2,6,11-16,18H2,1H3,(H,26,27).
What are the key properties of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide?
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide has a molecular weight of 431.96 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide is sourced from PubChem (CID 52737970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).