3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide

C18H28N2O3 — CID 78773340

IUPAC3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide
SMILESCCC(C)C(NC(=O)COc1ccc(C(C)C)c(C)c1)C(N)=O
InChIInChI=1S/C18H28N2O3/c1-6-12(4)17(18(19)22)20-16(21)10-23-14-7-8-15(11(2)3)13(5)9-14/h7-9,11-12,17H,6,10H2,1-5H3,(H2,19,22)(H,20,21)
InChIKeyFNOOMYAVXSQQBS-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.51
Rot. Bonds8

About 3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide

3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide (PubChem CID 78773340) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide.

Molecular Properties

Compound Name3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide
PubChem CID78773340
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide
SMILESCCC(C)C(NC(=O)COc1ccc(C(C)C)c(C)c1)C(N)=O
InChIInChI=1S/C18H28N2O3/c1-6-12(4)17(18(19)22)20-16(21)10-23-14-7-8-15(11(2)3)13(5)9-14/h7-9,11-12,17H,6,10H2,1-5H3,(H2,19,22)(H,20,21)
InChIKeyFNOOMYAVXSQQBS-UHFFFAOYSA-N
XLogP2.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate
CID 9157229
methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylpentanoate
CID 86977054
N-(1-hydroxypropan-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78857319
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide
CID 78773270
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9170871
(2S,3S)-3-methyl-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylamino]pentanoic acid
CID 122099927
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51574808
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19174758
N-cyclopentyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 134007945
N-(5-amino-2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 120568802

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide?
The IUPAC name of 3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide (CID 78773340) is 3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide.
What is the SMILES notation for 3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide?
The canonical SMILES for 3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide is CCC(C)C(NC(=O)COc1ccc(C(C)C)c(C)c1)C(N)=O.
What is the InChIKey of 3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide?
The InChIKey is FNOOMYAVXSQQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-6-12(4)17(18(19)22)20-16(21)10-23-14-7-8-15(11(2)3)13(5)9-14/h7-9,11-12,17H,6,10H2,1-5H3,(H2,19,22)(H,20,21).
What are the key properties of 3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide?
3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide has a molecular weight of 320.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]pentanamide is sourced from PubChem (CID 78773340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).