2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide

C22H26ClNO3 — CID 133186777

IUPAC2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H26ClNO3/c1-2-20(27-19-10-6-9-18(23)15-19)21(25)24-16-22(11-13-26-14-12-22)17-7-4-3-5-8-17/h3-10,15,20H,2,11-14,16H2,1H3,(H,24,25)
InChIKeyYURIOZVJCQYMFZ-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.36
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide

2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide (PubChem CID 133186777) has the molecular formula C22H26ClNO3 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
PubChem CID133186777
Molecular FormulaC22H26ClNO3
Molecular Weight387.91 g/mol
Exact Mass387.16
IUPAC Name2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H26ClNO3/c1-2-20(27-19-10-6-9-18(23)15-19)21(25)24-16-22(11-13-26-14-12-22)17-7-4-3-5-8-17/h3-10,15,20H,2,11-14,16H2,1H3,(H,24,25)
InChIKeyYURIOZVJCQYMFZ-UHFFFAOYSA-N
XLogP4.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 133160705
(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
(2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 100751316
2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119749920
(2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide
CID 7346204
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 132760616
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
CID 139008870

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide (CID 133186777) is 2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The InChIKey is YURIOZVJCQYMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO3/c1-2-20(27-19-10-6-9-18(23)15-19)21(25)24-16-22(11-13-26-14-12-22)17-7-4-3-5-8-17/h3-10,15,20H,2,11-14,16H2,1H3,(H,24,25).
What are the key properties of 2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide has a molecular weight of 387.91 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide is sourced from PubChem (CID 133186777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).