2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C18H30N2O3 — CID 111462613

IUPAC2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCOCC(O)CN(C)C(C)C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C18H30N2O3/c1-12(2)16-9-7-8-13(3)17(16)19-18(22)14(4)20(5)10-15(21)11-23-6/h7-9,12,14-15,21H,10-11H2,1-6H3,(H,19,22)
InChIKeyKZVWQQLUGFBEFF-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.38
Rot. Bonds8

About 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 111462613) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID111462613
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCOCC(O)CN(C)C(C)C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C18H30N2O3/c1-12(2)16-9-7-8-13(3)17(16)19-18(22)14(4)20(5)10-15(21)11-23-6/h7-9,12,14-15,21H,10-11H2,1-6H3,(H,19,22)
InChIKeyKZVWQQLUGFBEFF-UHFFFAOYSA-N
XLogP2.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462496
N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462556
(2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide
CID 129378013
(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8912935
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 111462499
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8909425
3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 81085361
3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903869
2-[bis(2-methoxyethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 33483586
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 111462613) is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is COCC(O)CN(C)C(C)C(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is KZVWQQLUGFBEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-12(2)16-9-7-8-13(3)17(16)19-18(22)14(4)20(5)10-15(21)11-23-6/h7-9,12,14-15,21H,10-11H2,1-6H3,(H,19,22).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 322.45 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 111462613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).