2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide

C18H28N2O3 — CID 110902009

IUPAC2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide
SMILESCc1ccc(OCC(O)CN(CC(N)=O)C2CCCC2)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-13-7-8-17(14(2)9-13)23-12-16(21)10-20(11-18(19)22)15-5-3-4-6-15/h7-9,15-16,21H,3-6,10-12H2,1-2H3,(H2,19,22)
InChIKeyRKCOXAVQBQHGIL-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.77
Rot. Bonds8

About 2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide

2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide (PubChem CID 110902009) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide
PubChem CID110902009
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide
SMILESCc1ccc(OCC(O)CN(CC(N)=O)C2CCCC2)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-13-7-8-17(14(2)9-13)23-12-16(21)10-20(11-18(19)22)15-5-3-4-6-15/h7-9,15-16,21H,3-6,10-12H2,1-2H3,(H2,19,22)
InChIKeyRKCOXAVQBQHGIL-UHFFFAOYSA-N
XLogP1.77
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride
CID 21237610
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide
CID 110899477
1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 110891658
1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107417965
1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107864
1-(2,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2770301
(2S)-1-(2,4-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 11863217
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
N-[1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 110910642
1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
CID 104748372
2-[[cyclohexyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]phenol
CID 7872383
(2S)-1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163790

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide?
The IUPAC name of 2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide (CID 110902009) is 2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide.
What is the SMILES notation for 2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide?
The canonical SMILES for 2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide is Cc1ccc(OCC(O)CN(CC(N)=O)C2CCCC2)c(C)c1.
What is the InChIKey of 2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide?
The InChIKey is RKCOXAVQBQHGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13-7-8-17(14(2)9-13)23-12-16(21)10-20(11-18(19)22)15-5-3-4-6-15/h7-9,15-16,21H,3-6,10-12H2,1-2H3,(H2,19,22).
What are the key properties of 2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide?
2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide has a molecular weight of 320.43 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide is sourced from PubChem (CID 110902009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).