2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide

C21H26ClNO2 — CID 132654231

IUPAC2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)NC(CC)c1ccc(C)c(C)c1
InChIInChI=1S/C21H26ClNO2/c1-5-19(16-8-7-14(3)15(4)13-16)23-21(24)20(6-2)25-18-11-9-17(22)10-12-18/h7-13,19-20H,5-6H2,1-4H3,(H,23,24)
InChIKeyHFCGRRGLNSAMPF-UHFFFAOYSA-N
MW359.90 g/mol
LogP5.38
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide

2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide (PubChem CID 132654231) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
PubChem CID132654231
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)NC(CC)c1ccc(C)c(C)c1
InChIInChI=1S/C21H26ClNO2/c1-5-19(16-8-7-14(3)15(4)13-16)23-21(24)20(6-2)25-18-11-9-17(22)10-12-18/h7-13,19-20H,5-6H2,1-4H3,(H,23,24)
InChIKeyHFCGRRGLNSAMPF-UHFFFAOYSA-N
XLogP5.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.90
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]butanamide
CID 100759702
N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133200009
N-[1-(3,4-dimethylphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133202176
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659513
2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide
CID 132651752
2-(4-chlorophenyl)sulfanyl-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132656541
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide
CID 99999779
(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 92675573
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide (CID 132654231) is 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide is CCC(Oc1ccc(Cl)cc1)C(=O)NC(CC)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide?
The InChIKey is HFCGRRGLNSAMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-5-19(16-8-7-14(3)15(4)13-16)23-21(24)20(6-2)25-18-11-9-17(22)10-12-18/h7-13,19-20H,5-6H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide?
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide has a molecular weight of 359.90 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide is sourced from PubChem (CID 132654231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).