2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide

C14H22N2O2 — CID 100630589

IUPAC2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide
SMILESCC(C)Nc1cccc(CNC(=O)C(C)(C)O)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-12-7-5-6-11(8-12)9-15-13(17)14(3,4)18/h5-8,10,16,18H,9H2,1-4H3,(H,15,17)
InChIKeyPAMJRWSPPPPOCR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.89
Rot. Bonds5

About 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide

2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide (PubChem CID 100630589) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide
PubChem CID100630589
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide
SMILESCC(C)Nc1cccc(CNC(=O)C(C)(C)O)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-12-7-5-6-11(8-12)9-15-13(17)14(3,4)18/h5-8,10,16,18H,9H2,1-4H3,(H,15,17)
InChIKeyPAMJRWSPPPPOCR-UHFFFAOYSA-N
XLogP1.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]phenyl]benzamide
CID 99834490
1-methyl-3-[[3-(propan-2-ylamino)phenyl]methyl]-1-prop-2-enylurea
CID 86817397
2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid
CID 154844292
3-(aminomethyl)-N-propan-2-ylaniline
CID 47003536
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
CID 103936425
tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate
CID 103892836
2-hydroxy-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 115178740
(1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 96537932
tert-butyl N-[[3-(heptan-4-ylamino)phenyl]methyl]carbamate
CID 107244673
(2S)-N-[(3-acetamidophenyl)methyl]-2-methoxy-2-phenylpropanamide
CID 95614299
N-[[3-(1-aminoethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 165439850

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide (CID 100630589) is 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide is CC(C)Nc1cccc(CNC(=O)C(C)(C)O)c1.
What is the InChIKey of 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide?
The InChIKey is PAMJRWSPPPPOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16-12-7-5-6-11(8-12)9-15-13(17)14(3,4)18/h5-8,10,16,18H,9H2,1-4H3,(H,15,17).
What are the key properties of 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide?
2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 100630589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).