N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide

C16H26N2O3 — CID 103839511

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C16H26N2O3/c1-13-7-5-6-8-14(13)21-10-9-15(19)17-11-16(2,20)12-18(3)4/h5-8,20H,9-12H2,1-4H3,(H,17,19)
InChIKeySQHZGPDRFUSXIH-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.19
Rot. Bonds8

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide (PubChem CID 103839511) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide
PubChem CID103839511
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C16H26N2O3/c1-13-7-5-6-8-14(13)21-10-9-15(19)17-11-16(2,20)12-18(3)4/h5-8,20H,9-12H2,1-4H3,(H,17,19)
InChIKeySQHZGPDRFUSXIH-UHFFFAOYSA-N
XLogP1.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-methylphenoxy)acetamide
CID 103839647
3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839832
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide
CID 103839738
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 103839500
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethylbenzamide
CID 103839801
4-[3-(2-chlorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002321
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
N-(2-ethylbutyl)-3-(2-methylphenoxy)propanamide
CID 115612578
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-ethoxybenzamide
CID 103840168
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 103839576

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide (CID 103839511) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide is Cc1ccccc1OCCC(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide?
The InChIKey is SQHZGPDRFUSXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13-7-5-6-8-14(13)21-10-9-15(19)17-11-16(2,20)12-18(3)4/h5-8,20H,9-12H2,1-4H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide has a molecular weight of 294.39 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 103839511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).