N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide

C19H27NO3 — CID 60514359

IUPACN-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)N(CC(C)C)C2CC2)cc1
InChIInChI=1S/C19H27NO3/c1-14(2)12-20(17-8-9-17)19(22)13-23-18-10-6-16(7-11-18)5-4-15(3)21/h6-7,10-11,14,17H,4-5,8-9,12-13H2,1-3H3
InChIKeyIBTGHASPESGQSM-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.23
Rot. Bonds9

About N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide

N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide (PubChem CID 60514359) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
PubChem CID60514359
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCC(=O)CCc1ccc(OCC(=O)N(CC(C)C)C2CC2)cc1
InChIInChI=1S/C19H27NO3/c1-14(2)12-20(17-8-9-17)19(22)13-23-18-10-6-16(7-11-18)5-4-15(3)21/h6-7,10-11,14,17H,4-5,8-9,12-13H2,1-3H3
InChIKeyIBTGHASPESGQSM-UHFFFAOYSA-N
XLogP3.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 43263738
N-cyclopropyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 78850523
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
1-[4-(3-oxobutyl)phenoxy]pentan-2-one
CID 62042090
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404
ethyl (E)-2-[[4-(3-oxobutyl)phenoxy]methyl]but-2-enoate
CID 53381870
N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 78767064
2-(4-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 19165748
4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one
CID 63932166
3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 82325252

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide (CID 60514359) is N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide is CC(=O)CCc1ccc(OCC(=O)N(CC(C)C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
The InChIKey is IBTGHASPESGQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14(2)12-20(17-8-9-17)19(22)13-23-18-10-6-16(7-11-18)5-4-15(3)21/h6-7,10-11,14,17H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide?
N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide has a molecular weight of 317.43 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methylpropyl)-2-[4-(3-oxobutyl)phenoxy]acetamide is sourced from PubChem (CID 60514359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).