N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide

C18H30N2O3 — CID 111462496

IUPACN-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)N(C)CC(O)COC
InChIInChI=1S/C18H30N2O3/c1-6-14-9-8-10-15(7-2)17(14)19-18(22)13(3)20(4)11-16(21)12-23-5/h8-10,13,16,21H,6-7,11-12H2,1-5H3,(H,19,22)
InChIKeyUTOJNBCINMFYNL-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.08
Rot. Bonds9

About N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide

N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide (PubChem CID 111462496) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
PubChem CID111462496
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)N(C)CC(O)COC
InChIInChI=1S/C18H30N2O3/c1-6-14-9-8-10-15(7-2)17(14)19-18(22)13(3)20(4)11-16(21)12-23-5/h8-10,13,16,21H,6-7,11-12H2,1-5H3,(H,19,22)
InChIKeyUTOJNBCINMFYNL-UHFFFAOYSA-N
XLogP2.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 111462613
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
3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903869
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N,2-diphenylacetamide
CID 111543934
N-(2,6-diethylphenyl)-2-methylpentanamide
CID 2952555
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide
CID 131947258
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 111462499
2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide
CID 70010696
N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462618
2,6-diethyl-N-(1-methoxypropan-2-yl)aniline
CID 15051296
2-(2,6-diethylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 62328026

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide (CID 111462496) is N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide is CCc1cccc(CC)c1NC(=O)C(C)N(C)CC(O)COC.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide?
The InChIKey is UTOJNBCINMFYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-6-14-9-8-10-15(7-2)17(14)19-18(22)13(3)20(4)11-16(21)12-23-5/h8-10,13,16,21H,6-7,11-12H2,1-5H3,(H,19,22).
What are the key properties of N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide?
N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide has a molecular weight of 322.45 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide is sourced from PubChem (CID 111462496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).