2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide

C24H30N2O3 — CID 17179669

IUPAC2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-22(29-21-7-5-6-18(3)16-21)23(27)25-20-10-8-19(9-11-20)24(28)26-14-12-17(2)13-15-26/h5-11,16-17,22H,4,12-15H2,1-3H3,(H,25,27)
InChIKeyIAIWCPDMXOQLOR-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.66
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide

2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide (PubChem CID 17179669) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
PubChem CID17179669
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-22(29-21-7-5-6-18(3)16-21)23(27)25-20-10-8-19(9-11-20)24(28)26-14-12-17(2)13-15-26/h5-11,16-17,22H,4,12-15H2,1-3H3,(H,25,27)
InChIKeyIAIWCPDMXOQLOR-UHFFFAOYSA-N
XLogP4.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
(2R)-N-[4-(morpholine-4-carbonyl)phenyl]-2-phenoxybutanamide
CID 42579548
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144
2-(3-ethoxyanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54826455
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 4928488
(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 95119203
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide
CID 43878334
2-(3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 4928588

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide (CID 17179669) is 2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide is CCC(Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide?
The InChIKey is IAIWCPDMXOQLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-22(29-21-7-5-6-18(3)16-21)23(27)25-20-10-8-19(9-11-20)24(28)26-14-12-17(2)13-15-26/h5-11,16-17,22H,4,12-15H2,1-3H3,(H,25,27).
What are the key properties of 2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide?
2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide has a molecular weight of 394.52 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 17179669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).