N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide

C16H26N2O3 — CID 111750477

IUPACN-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
SMILESCCOc1ccc(NC(=O)C(C)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C16H26N2O3/c1-6-21-14-9-7-13(8-10-14)17-15(19)12(2)18(5)11-16(3,4)20/h7-10,12,20H,6,11H2,1-5H3,(H,17,19)
InChIKeyRFUQADUZGLQQQJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.12
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide

N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide (PubChem CID 111750477) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
PubChem CID111750477
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
SMILESCCOc1ccc(NC(=O)C(C)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C16H26N2O3/c1-6-21-14-9-7-13(8-10-14)17-15(19)12(2)18(5)11-16(3,4)20/h7-10,12,20H,6,11H2,1-5H3,(H,17,19)
InChIKeyRFUQADUZGLQQQJ-UHFFFAOYSA-N
XLogP2.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 111750353
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
CID 79390383
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
(2R)-2-bromo-N-(4-ethoxyphenyl)-3-methylbutanamide
CID 7079963
N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide
CID 111433002
N-[4-(dimethylamino)phenyl]-2-(4-ethoxyphenoxy)propanamide
CID 53267102
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide
CID 107470924
(2R)-N-(4-ethoxyphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9274915
(2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
CID 9249538
(2S)-2-(azocan-1-ium-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 9460347

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide (CID 111750477) is N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide is CCOc1ccc(NC(=O)C(C)N(C)CC(C)(C)O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The InChIKey is RFUQADUZGLQQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-21-14-9-7-13(8-10-14)17-15(19)12(2)18(5)11-16(3,4)20/h7-10,12,20H,6,11H2,1-5H3,(H,17,19).
What are the key properties of N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide has a molecular weight of 294.40 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide is sourced from PubChem (CID 111750477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).