N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide

C18H30N2O3 — CID 111462556

IUPACN-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)N(C)CC(O)COC
InChIInChI=1S/C18H30N2O3/c1-6-13(2)16-9-7-8-10-17(16)19-18(22)14(3)20(4)11-15(21)12-23-5/h7-10,13-15,21H,6,11-12H2,1-5H3,(H,19,22)
InChIKeyFYCBKMZSWNRRSU-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.47
Rot. Bonds9

About N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide

N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide (PubChem CID 111462556) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
PubChem CID111462556
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)N(C)CC(O)COC
InChIInChI=1S/C18H30N2O3/c1-6-13(2)16-9-7-8-10-17(16)19-18(22)14(3)20(4)11-15(21)12-23-5/h7-10,13-15,21H,6,11-12H2,1-5H3,(H,19,22)
InChIKeyFYCBKMZSWNRRSU-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 111462613
N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 4879414
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053428
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9252915
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N,2-diphenylacetamide
CID 111543934
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide
CID 8019165
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide (CID 111462556) is N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide is CCC(C)c1ccccc1NC(=O)C(C)N(C)CC(O)COC.
What is the InChIKey of N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide?
The InChIKey is FYCBKMZSWNRRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-6-13(2)16-9-7-8-10-17(16)19-18(22)14(3)20(4)11-15(21)12-23-5/h7-10,13-15,21H,6,11-12H2,1-5H3,(H,19,22).
What are the key properties of N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide?
N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide has a molecular weight of 322.45 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide is sourced from PubChem (CID 111462556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).