N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide

C19H32N2O3 — CID 111462499

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
SMILESCOCC(O)CN(C)CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H32N2O3/c1-13(2)16-8-7-9-17(14(3)4)19(16)20-18(23)11-21(5)10-15(22)12-24-6/h7-9,13-15,22H,10-12H2,1-6H3,(H,20,23)
InChIKeyKFOFIKZWSFEUPN-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.81
Rot. Bonds9

About N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide (PubChem CID 111462499) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
PubChem CID111462499
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
SMILESCOCC(O)CN(C)CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H32N2O3/c1-13(2)16-8-7-9-17(14(3)4)19(16)20-18(23)11-21(5)10-15(22)12-24-6/h7-9,13-15,22H,10-12H2,1-6H3,(H,20,23)
InChIKeyKFOFIKZWSFEUPN-UHFFFAOYSA-N
XLogP2.81
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488372
2-[bis(2-methoxyethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 33483708
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 111462613
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113160158
2-[bis(2-methoxyethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 33483586
N-(4-chloro-2-methylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62014016
N-(3-cyanothiophen-2-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015152
bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)
CID 159006610
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide
CID 62014011
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119671524

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide (CID 111462499) is N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide is COCC(O)CN(C)CC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide?
The InChIKey is KFOFIKZWSFEUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-13(2)16-8-7-9-17(14(3)4)19(16)20-18(23)11-21(5)10-15(22)12-24-6/h7-9,13-15,22H,10-12H2,1-6H3,(H,20,23).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide has a molecular weight of 336.48 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide is sourced from PubChem (CID 111462499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).