2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide

C25H34N2O4 — CID 4980761

IUPAC2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCC(C)NC(=O)C(CC)Oc1ccc(C)cc1
InChIInChI=1S/C25H34N2O4/c1-6-22(30-20-12-8-17(3)9-13-20)24(28)26-16-19(5)27-25(29)23(7-2)31-21-14-10-18(4)11-15-21/h8-15,19,22-23H,6-7,16H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyWWIGNBPJZHTHOD-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.94
Rot. Bonds11

About 2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide

2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide (PubChem CID 4980761) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide
PubChem CID4980761
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCC(C)NC(=O)C(CC)Oc1ccc(C)cc1
InChIInChI=1S/C25H34N2O4/c1-6-22(30-20-12-8-17(3)9-13-20)24(28)26-16-19(5)27-25(29)23(7-2)31-21-14-10-18(4)11-15-21/h8-15,19,22-23H,6-7,16H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyWWIGNBPJZHTHOD-UHFFFAOYSA-N
XLogP3.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide
CID 40579725
(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 9179988
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide
CID 9172678
(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
CID 9180328
N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651239
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 120652172
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide (CID 4980761) is 2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide is CCC(Oc1ccc(C)cc1)C(=O)NCC(C)NC(=O)C(CC)Oc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide?
The InChIKey is WWIGNBPJZHTHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-6-22(30-20-12-8-17(3)9-13-20)24(28)26-16-19(5)27-25(29)23(7-2)31-21-14-10-18(4)11-15-21/h8-15,19,22-23H,6-7,16H2,1-5H3,(H,26,28)(H,27,29).
What are the key properties of 2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide?
2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide has a molecular weight of 426.56 g/mol, XLogP of 3.94, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide is sourced from PubChem (CID 4980761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).