1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide

C17H26N2O3 — CID 111825613

IUPAC1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide
SMILESCc1ccc(C)c(OCC(O)CNC2(C(N)=O)CCCC2)c1
InChIInChI=1S/C17H26N2O3/c1-12-5-6-13(2)15(9-12)22-11-14(20)10-19-17(16(18)21)7-3-4-8-17/h5-6,9,14,19-20H,3-4,7-8,10-11H2,1-2H3,(H2,18,21)
InChIKeyXPWVTYDFYCPROI-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.43
Rot. Bonds7

About 1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide

1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide (PubChem CID 111825613) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide
PubChem CID111825613
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide
SMILESCc1ccc(C)c(OCC(O)CNC2(C(N)=O)CCCC2)c1
InChIInChI=1S/C17H26N2O3/c1-12-5-6-13(2)15(9-12)22-11-14(20)10-19-17(16(18)21)7-3-4-8-17/h5-6,9,14,19-20H,3-4,7-8,10-11H2,1-2H3,(H2,18,21)
InChIKeyXPWVTYDFYCPROI-UHFFFAOYSA-N
XLogP1.43
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 62517402
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide
CID 112673832
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909776
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914070
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 54938516
1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102697861
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
1-[3-(2,5-dimethylphenoxy)propylamino]cyclobutane-1-carboxylic acid
CID 81167901
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
CID 79100094

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide (CID 111825613) is 1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide is Cc1ccc(C)c(OCC(O)CNC2(C(N)=O)CCCC2)c1.
What is the InChIKey of 1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide?
The InChIKey is XPWVTYDFYCPROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-5-6-13(2)15(9-12)22-11-14(20)10-19-17(16(18)21)7-3-4-8-17/h5-6,9,14,19-20H,3-4,7-8,10-11H2,1-2H3,(H2,18,21).
What are the key properties of 1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide?
1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 111825613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).