2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide

C36H40N2O4 — CID 4929424

IUPAC2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)N(CCN(C(=O)C(CC)Oc1cccc(C)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C36H40N2O4/c1-5-33(41-31-21-13-15-27(3)25-31)35(39)37(29-17-9-7-10-18-29)23-24-38(30-19-11-8-12-20-30)36(40)34(6-2)42-32-22-14-16-28(4)26-32/h7-22,25-26,33-34H,5-6,23-24H2,1-4H3
InChIKeyVEARZUNAMXEPGF-UHFFFAOYSA-N
MW564.73 g/mol
LogP7.38
Rot. Bonds13

About 2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide

2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide (PubChem CID 4929424) has the molecular formula C36H40N2O4 and a molecular weight of 564.73 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide
PubChem CID4929424
Molecular FormulaC36H40N2O4
Molecular Weight564.73 g/mol
Exact Mass564.30
IUPAC Name2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)N(CCN(C(=O)C(CC)Oc1cccc(C)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C36H40N2O4/c1-5-33(41-31-21-13-15-27(3)25-31)35(39)37(29-17-9-7-10-18-29)23-24-38(30-19-11-8-12-20-30)36(40)34(6-2)42-32-22-14-16-28(4)26-32/h7-22,25-26,33-34H,5-6,23-24H2,1-4H3
InChIKeyVEARZUNAMXEPGF-UHFFFAOYSA-N
XLogP7.38
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide with MolForge

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Related Compounds

N-ethyl-2-phenoxy-N-phenylbutanamide
CID 4132728
2-(3-methylphenoxy)butanoic acid
CID 4778922
N-[3-(N-methylanilino)propyl]-2-(3-methylphenoxy)butanamide
CID 132652146
2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
CID 4940214
(2S)-2-(3-methylphenoxy)butanedioic acid
CID 141249826
2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 43916230
N,N-dibutyl-2-phenoxybutanamide
CID 3492483
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
CID 92672891
6-[2-(3-methylphenoxy)butanoylamino]hexanoic acid
CID 119352114
N-methyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132654741
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide (CID 4929424) is 2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide is CCC(Oc1cccc(C)c1)C(=O)N(CCN(C(=O)C(CC)Oc1cccc(C)c1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide?
The InChIKey is VEARZUNAMXEPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2O4/c1-5-33(41-31-21-13-15-27(3)25-31)35(39)37(29-17-9-7-10-18-29)23-24-38(30-19-11-8-12-20-30)36(40)34(6-2)42-32-22-14-16-28(4)26-32/h7-22,25-26,33-34H,5-6,23-24H2,1-4H3.
What are the key properties of 2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide?
2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide has a molecular weight of 564.73 g/mol, XLogP of 7.38, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-[N-[2-(3-methylphenoxy)butanoyl]anilino]ethyl]-N-phenylbutanamide is sourced from PubChem (CID 4929424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).