N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide

C14H22N2O2 — CID 105058116

IUPACN-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(9-15-3)13(18)16-14(2,10-17)12-7-5-4-6-8-12/h4-8,11,15,17H,9-10H2,1-3H3,(H,16,18)
InChIKeyBWZXMRQFADSOLC-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.87
Rot. Bonds6

About N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide

N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide (PubChem CID 105058116) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide
PubChem CID105058116
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(9-15-3)13(18)16-14(2,10-17)12-7-5-4-6-8-12/h4-8,11,15,17H,9-10H2,1-3H3,(H,16,18)
InChIKeyBWZXMRQFADSOLC-UHFFFAOYSA-N
XLogP0.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylbutanamide
CID 105058270
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-phenylacetamide
CID 105058224
N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide
CID 105059655
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 107570839
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 105058238
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
N-(1-hydroxy-2-phenylpropan-2-yl)-2-pyrazol-1-ylpropanamide
CID 105058962
N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide
CID 105058924
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide (CID 105058116) is N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NC(C)(CO)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is BWZXMRQFADSOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(9-15-3)13(18)16-14(2,10-17)12-7-5-4-6-8-12/h4-8,11,15,17H,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide?
N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 250.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 105058116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).