2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide

C16H26N2O3 — CID 60909776

IUPAC2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
SMILESCc1ccc(C)c(OCC(O)CNCC(=O)NC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-11(2)18-16(20)9-17-8-14(19)10-21-15-7-12(3)5-6-13(15)4/h5-7,11,14,17,19H,8-10H2,1-4H3,(H,18,20)
InChIKeyMOMKVKTUWODRMB-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.16
Rot. Bonds8

About 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide

2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide (PubChem CID 60909776) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
PubChem CID60909776
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
SMILESCc1ccc(C)c(OCC(O)CNCC(=O)NC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-11(2)18-16(20)9-17-8-14(19)10-21-15-7-12(3)5-6-13(15)4/h5-7,11,14,17,19H,8-10H2,1-4H3,(H,18,20)
InChIKeyMOMKVKTUWODRMB-UHFFFAOYSA-N
XLogP1.16
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102697861
1-(2,5-dimethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745298
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
CID 79100094
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914070
2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901590
1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide
CID 111825613
1-(2,5-dimethylphenoxy)-3-(3-methylsulfanylpropylamino)propan-2-ol
CID 63967113
1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463540
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide
CID 112673832

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide (CID 60909776) is 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide is Cc1ccc(C)c(OCC(O)CNCC(=O)NC(C)C)c1.
What is the InChIKey of 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide?
The InChIKey is MOMKVKTUWODRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)18-16(20)9-17-8-14(19)10-21-15-7-12(3)5-6-13(15)4/h5-7,11,14,17,19H,8-10H2,1-4H3,(H,18,20).
What are the key properties of 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide?
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide has a molecular weight of 294.40 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60909776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).