N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide

C17H27NO2 — CID 78876109

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide
SMILESCOCCN(CC(C)C)C(=O)CCCc1ccccc1
InChIInChI=1S/C17H27NO2/c1-15(2)14-18(12-13-20-3)17(19)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,15H,7,10-14H2,1-3H3
InChIKeyUCLMEHUAYFUBEW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.14
Rot. Bonds9

About N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide

N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide (PubChem CID 78876109) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide
PubChem CID78876109
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide
SMILESCOCCN(CC(C)C)C(=O)CCCc1ccccc1
InChIInChI=1S/C17H27NO2/c1-15(2)14-18(12-13-20-3)17(19)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,15H,7,10-14H2,1-3H3
InChIKeyUCLMEHUAYFUBEW-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 78853346
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
2-amino-N-(2-methoxyethyl)-N-(3-phenylpropyl)acetamide
CID 119307588
N-benzyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79205106
2-(2-chlorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 78853411
3-(2-bromophenyl)sulfanyl-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide
CID 55760574
N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
CID 78781430
2-(4-aminophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 54906294
N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 78884220
3-[4-phenylbutanoyl(propan-2-yl)amino]propanoic acid
CID 60830563
2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid
CID 62033173
3-[3-(3-methoxyphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119189983

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide (CID 78876109) is N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide is COCCN(CC(C)C)C(=O)CCCc1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide?
The InChIKey is UCLMEHUAYFUBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-15(2)14-18(12-13-20-3)17(19)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,15H,7,10-14H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide is sourced from PubChem (CID 78876109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).