N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide

C16H26N2O2 — CID 111750380

IUPACN-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)N(C)CC(C)(C)O)c1
InChIInChI=1S/C16H26N2O2/c1-11-7-8-12(2)14(9-11)17-15(19)13(3)18(6)10-16(4,5)20/h7-9,13,20H,10H2,1-6H3,(H,17,19)
InChIKeyZNJLHPFEMMNIGF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.33
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide

N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide (PubChem CID 111750380) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
PubChem CID111750380
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)N(C)CC(C)(C)O)c1
InChIInChI=1S/C16H26N2O2/c1-11-7-8-12(2)14(9-11)17-15(19)13(3)18(6)10-16(4,5)20/h7-9,13,20H,10H2,1-6H3,(H,17,19)
InChIKeyZNJLHPFEMMNIGF-UHFFFAOYSA-N
XLogP2.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750320
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 46561822
(2S)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26435325
(2R)-N-(2,5-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494772
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
CID 79390383
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
N-(2,5-dimethylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide
CID 42897193
(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119669266
2-bromo-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 24710246
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120346
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide (CID 111750380) is N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide is Cc1ccc(C)c(NC(=O)C(C)N(C)CC(C)(C)O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The InChIKey is ZNJLHPFEMMNIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-7-8-12(2)14(9-11)17-15(19)13(3)18(6)10-16(4,5)20/h7-9,13,20H,10H2,1-6H3,(H,17,19).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide is sourced from PubChem (CID 111750380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).