2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide

C16H26N2O2 — CID 61464733

IUPAC2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide
SMILESCC(NCC(O)c1ccc(C(C)C)cc1)C(=O)N(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)13-6-8-14(9-7-13)15(19)10-17-12(3)16(20)18(4)5/h6-9,11-12,15,17,19H,10H2,1-5H3
InChIKeyOOBHZBAIBRREOL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.91
Rot. Bonds6

About 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide

2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide (PubChem CID 61464733) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide
PubChem CID61464733
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide
SMILESCC(NCC(O)c1ccc(C(C)C)cc1)C(=O)N(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)13-6-8-14(9-7-13)15(19)10-17-12(3)16(20)18(4)5/h6-9,11-12,15,17,19H,10H2,1-5H3
InChIKeyOOBHZBAIBRREOL-UHFFFAOYSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate
CID 61499553
N-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]-N-methylpropanamide
CID 103108745
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 103108710
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
CID 60909048
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid
CID 64559399
2-(but-3-yn-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 114416816
2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60885846
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82313061
2-(2-hydroxybutylamino)-N,N-dimethylpropanamide
CID 61464462
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-hydroxypropanamide
CID 106174475
2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
CID 61464816

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide (CID 61464733) is 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide is CC(NCC(O)c1ccc(C(C)C)cc1)C(=O)N(C)C.
What is the InChIKey of 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide?
The InChIKey is OOBHZBAIBRREOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)13-6-8-14(9-7-13)15(19)10-17-12(3)16(20)18(4)5/h6-9,11-12,15,17,19H,10H2,1-5H3.
What are the key properties of 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide?
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61464733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).