4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide

C17H26N2O2 — CID 107667971

IUPAC4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide
SMILESCCC(C)c1ccc(OCCC(NC2CC2)C(N)=O)cc1
InChIInChI=1S/C17H26N2O2/c1-3-12(2)13-4-8-15(9-5-13)21-11-10-16(17(18)20)19-14-6-7-14/h4-5,8-9,12,14,16,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)
InChIKeyDBNBWJFLJATHIK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.57
Rot. Bonds9

About 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide

4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide (PubChem CID 107667971) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide.

Molecular Properties

Compound Name4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide
PubChem CID107667971
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide
SMILESCCC(C)c1ccc(OCCC(NC2CC2)C(N)=O)cc1
InChIInChI=1S/C17H26N2O2/c1-3-12(2)13-4-8-15(9-5-13)21-11-10-16(17(18)20)19-14-6-7-14/h4-5,8-9,12,14,16,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)
InChIKeyDBNBWJFLJATHIK-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(4-propan-2-ylphenoxy)butanamide
CID 63038784
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)butanamide
CID 63035661
2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
CID 63039927
3-(4-butan-2-ylphenoxy)-2-methylpropanamide
CID 107669112
methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate
CID 116857339
2-(cyclopentylamino)-2-(4-propoxyphenyl)acetamide
CID 62495956
2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide
CID 63039159
2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
CID 107668609
2-amino-3-(4-butan-2-ylphenoxy)propanamide
CID 107663516
methyl 2-amino-4-(4-butan-2-ylphenoxy)-2-methylbutanoate
CID 107667958
2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide
CID 63038366
2-(ethylamino)-4-(4-propoxyphenoxy)butanamide
CID 63033885

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide?
The IUPAC name of 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide (CID 107667971) is 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide.
What is the SMILES notation for 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide?
The canonical SMILES for 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide is CCC(C)c1ccc(OCCC(NC2CC2)C(N)=O)cc1.
What is the InChIKey of 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide?
The InChIKey is DBNBWJFLJATHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-12(2)13-4-8-15(9-5-13)21-11-10-16(17(18)20)19-14-6-7-14/h4-5,8-9,12,14,16,19H,3,6-7,10-11H2,1-2H3,(H2,18,20).
What are the key properties of 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide?
4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide has a molecular weight of 290.41 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide is sourced from PubChem (CID 107667971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).