N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide

C16H26N2O2 — CID 22769489

IUPACN-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(C)(C)NCC(O)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)15(20)17-11-16(3,4)18-10-14(19)13-8-6-5-7-9-13/h5-9,12,14,18-19H,10-11H2,1-4H3,(H,17,20)
InChIKeyRPEYGQJNZBMKJD-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.86
Rot. Bonds7

About N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide

N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide (PubChem CID 22769489) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide
PubChem CID22769489
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(C)(C)NCC(O)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)15(20)17-11-16(3,4)18-10-14(19)13-8-6-5-7-9-13/h5-9,12,14,18-19H,10-11H2,1-4H3,(H,17,20)
InChIKeyRPEYGQJNZBMKJD-UHFFFAOYSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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DL-threo-PDMP
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1-Cyclohexyl-3-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-propanone
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(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-4-methylpentanamide
CID 9805486

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide (CID 22769489) is N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide is CC(C)C(=O)NCC(C)(C)NCC(O)c1ccccc1.
What is the InChIKey of N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide?
The InChIKey is RPEYGQJNZBMKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)15(20)17-11-16(3,4)18-10-14(19)13-8-6-5-7-9-13/h5-9,12,14,18-19H,10-11H2,1-4H3,(H,17,20).
What are the key properties of N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide?
N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide is sourced from PubChem (CID 22769489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).