N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide

C15H22N2O3 — CID 3607807

IUPACN'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide
SMILESCOCCNC(=O)CC(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(10-14(18)16-8-9-20-2)11-15(19)17-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNUHJYSRQVUZIRI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.80
Rot. Bonds8

About N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide

N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide (PubChem CID 3607807) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide
PubChem CID3607807
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide
SMILESCOCCNC(=O)CC(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(10-14(18)16-8-9-20-2)11-15(19)17-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNUHJYSRQVUZIRI-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide
CID 5018445
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 115574236
(2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid
CID 7591377
3,4-dimethoxy-N-phenylbutanamide
CID 57160536
[2-(2-methoxyethylamino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616904
3-methyl-N-phenyl-5-phenylmethoxypentanamide
CID 175774392
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-2,2-diphenylacetamide
CID 39231113
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide?
The IUPAC name of N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide (CID 3607807) is N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide.
What is the SMILES notation for N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide?
The canonical SMILES for N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide is COCCNC(=O)CC(C)CC(=O)Nc1ccccc1.
What is the InChIKey of N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide?
The InChIKey is NUHJYSRQVUZIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(10-14(18)16-8-9-20-2)11-15(19)17-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide?
N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide has a molecular weight of 278.35 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide is sourced from PubChem (CID 3607807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).