4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide

C15H24N2O3 — CID 63213865

IUPAC4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide
SMILESCCNc1ccc(C(=O)N(C)CC(O)COC)cc1C
InChIInChI=1S/C15H24N2O3/c1-5-16-14-7-6-12(8-11(14)2)15(19)17(3)9-13(18)10-20-4/h6-8,13,16,18H,5,9-10H2,1-4H3
InChIKeyCFFDYHZZWVDUMM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.51
Rot. Bonds7

About 4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide

4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide (PubChem CID 63213865) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide
PubChem CID63213865
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide
SMILESCCNc1ccc(C(=O)N(C)CC(O)COC)cc1C
InChIInChI=1S/C15H24N2O3/c1-5-16-14-7-6-12(8-11(14)2)15(19)17(3)9-13(18)10-20-4/h6-8,13,16,18H,5,9-10H2,1-4H3
InChIKeyCFFDYHZZWVDUMM-UHFFFAOYSA-N
XLogP1.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62176231
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 115283349
3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994745
N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide
CID 55162088
N-(2-hydroxy-3-methoxypropyl)-N,6-dimethylpyridine-3-carboxamide
CID 54993418
3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103892640
4-(ethylamino)-N-(4-methoxybutan-2-yl)-3-methylbenzamide
CID 64605746
N-cyclopropyl-4-(ethylamino)-3-methyl-N-propylbenzamide
CID 63210133
N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-carboxamide
CID 104627104
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
N,3-dimethyl-4-(methylamino)-N-(2-methylpropyl)benzamide
CID 63210523

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide?
The IUPAC name of 4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide (CID 63213865) is 4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide?
The canonical SMILES for 4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide is CCNc1ccc(C(=O)N(C)CC(O)COC)cc1C.
What is the InChIKey of 4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide?
The InChIKey is CFFDYHZZWVDUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-16-14-7-6-12(8-11(14)2)15(19)17(3)9-13(18)10-20-4/h6-8,13,16,18H,5,9-10H2,1-4H3.
What are the key properties of 4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide?
4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide has a molecular weight of 280.37 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide is sourced from PubChem (CID 63213865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).