2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide

C16H26N2O3 — CID 103914070

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

About 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide

2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide (PubChem CID 103914070) 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]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
PubChem CID103914070
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
SMILESCc1ccc(C)c(OCC(O)CNC(C(N)=O)C(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-10(2)15(16(17)20)18-8-13(19)9-21-14-7-11(3)5-6-12(14)4/h5-7,10,13,15,18-19H,8-9H2,1-4H3,(H2,17,20)
InChIKeyRUFOELQMDARRMW-UHFFFAOYSA-N
XLogP1.14
TPSA84.58 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 ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463540
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]oxyacetamide
CID 112673832
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide
CID 103914023
1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 54938516
(2R)-1-(2,5-dimethylphenoxy)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 7024944
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909776
methyl 2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]propanoate
CID 61499795
1-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]cyclopentane-1-carboxamide
CID 111825613
1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102697861
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913988
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914300
1-(2,5-dimethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745298

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide (CID 103914070) is 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide is Cc1ccc(C)c(OCC(O)CNC(C(N)=O)C(C)C)c1.
What is the InChIKey of 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide?
The InChIKey is RUFOELQMDARRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-10(2)15(16(17)20)18-8-13(19)9-21-14-7-11(3)5-6-12(14)4/h5-7,10,13,15,18-19H,8-9H2,1-4H3,(H2,17,20).
What are the key properties of 2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide?
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide has a molecular weight of 294.40 g/mol, XLogP of 1.14, 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]-3-methylbutanamide is sourced from PubChem (CID 103914070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).