2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide

C15H22N2O2 — CID 63039159

IUPAC2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide
SMILESCc1cccc(OCCC(NC2CC2)C(N)=O)c1C
InChIInChI=1S/C15H22N2O2/c1-10-4-3-5-14(11(10)2)19-9-8-13(15(16)18)17-12-6-7-12/h3-5,12-13,17H,6-9H2,1-2H3,(H2,16,18)
InChIKeyJFMAEOPHVRGZNR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.68
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide

2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide (PubChem CID 63039159) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide
PubChem CID63039159
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide
SMILESCc1cccc(OCCC(NC2CC2)C(N)=O)c1C
InChIInChI=1S/C15H22N2O2/c1-10-4-3-5-14(11(10)2)19-9-8-13(15(16)18)17-12-6-7-12/h3-5,12-13,17H,6-9H2,1-2H3,(H2,16,18)
InChIKeyJFMAEOPHVRGZNR-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(2-fluoro-3-methylphenoxy)butanamide
CID 107660548
2-(cyclopropylamino)-4-(2,3-difluorophenoxy)butanamide
CID 63038366
2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
CID 63039927
2-(cyclopropylamino)-4-(4-propan-2-ylphenoxy)butanamide
CID 63038784
3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 43417399
N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119478904
4-(4-butan-2-ylphenoxy)-2-(cyclopropylamino)butanamide
CID 107667971
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)butanamide
CID 63035661
2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid
CID 55143193
1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol
CID 112508032
methyl 4-(2,3-dimethylphenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 69304720

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide (CID 63039159) is 2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide is Cc1cccc(OCCC(NC2CC2)C(N)=O)c1C.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide?
The InChIKey is JFMAEOPHVRGZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-3-5-14(11(10)2)19-9-8-13(15(16)18)17-12-6-7-12/h3-5,12-13,17H,6-9H2,1-2H3,(H2,16,18).
What are the key properties of 2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide?
2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide has a molecular weight of 262.35 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 63039159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).