N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide

C14H22N2O2 — CID 107640502

IUPACN-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide
SMILESCCN(C)C(=O)CNC(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(3)14(18)10-15-11(2)9-12-5-7-13(17)8-6-12/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyIISBDBBRORXNBN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.39
Rot. Bonds6

About N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide

N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide (PubChem CID 107640502) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide
PubChem CID107640502
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide
SMILESCCN(C)C(=O)CNC(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(3)14(18)10-15-11(2)9-12-5-7-13(17)8-6-12/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeyIISBDBBRORXNBN-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide
CID 103522190
N-ethyl-2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 60759691
1-(3,5-dihydroxyphenyl)-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethanone;hydrobromide
CID 3014195
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide
CID 43310878
2-[1-(4-methoxyphenyl)propan-2-ylamino]-N,N-dimethylacetamide
CID 43508841
2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 103109192
ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 143996671
4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
CID 78942237
ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate
CID 115494377
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide
CID 106170771

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide (CID 107640502) is N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide is CCN(C)C(=O)CNC(C)Cc1ccc(O)cc1.
What is the InChIKey of N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide?
The InChIKey is IISBDBBRORXNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(3)14(18)10-15-11(2)9-12-5-7-13(17)8-6-12/h5-8,11,15,17H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide?
N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide is sourced from PubChem (CID 107640502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).