N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide

C19H30N2O3 — CID 111477609

IUPACN-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide
SMILESCC(C)C(NC1CCOCC1)C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-14(2)17(21-16-9-11-24-12-10-16)18(22)20-13-19(3,23)15-7-5-4-6-8-15/h4-8,14,16-17,21,23H,9-13H2,1-3H3,(H,20,22)
InChIKeyZMDGBPVVMOQRAB-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.80
Rot. Bonds7

About N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide

N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide (PubChem CID 111477609) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide
PubChem CID111477609
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide
SMILESCC(C)C(NC1CCOCC1)C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-14(2)17(21-16-9-11-24-12-10-16)18(22)20-13-19(3,23)15-7-5-4-6-8-15/h4-8,14,16-17,21,23H,9-13H2,1-3H3,(H,20,22)
InChIKeyZMDGBPVVMOQRAB-UHFFFAOYSA-N
XLogP1.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide
CID 99787425
2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide
CID 111334765
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide
CID 111697237
N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine
CID 43778507
(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide
CID 95769505
N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide
CID 110021066
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 84594730
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate
CID 62375494
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110663932
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 136514303

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide (CID 111477609) is N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide is CC(C)C(NC1CCOCC1)C(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide?
The InChIKey is ZMDGBPVVMOQRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)17(21-16-9-11-24-12-10-16)18(22)20-13-19(3,23)15-7-5-4-6-8-15/h4-8,14,16-17,21,23H,9-13H2,1-3H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide?
N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide has a molecular weight of 334.46 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide is sourced from PubChem (CID 111477609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).