2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide

C14H22N2O2 — CID 43310878

IUPAC2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide
SMILESCC(CCc1ccc(O)cc1)NCC(=O)N(C)C
InChIInChI=1S/C14H22N2O2/c1-11(15-10-14(18)16(2)3)4-5-12-6-8-13(17)9-7-12/h6-9,11,15,17H,4-5,10H2,1-3H3
InChIKeyPATZOEXIMWJVKU-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.39
Rot. Bonds6

About 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide

2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide (PubChem CID 43310878) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide
PubChem CID43310878
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide
SMILESCC(CCc1ccc(O)cc1)NCC(=O)N(C)C
InChIInChI=1S/C14H22N2O2/c1-11(15-10-14(18)16(2)3)4-5-12-6-8-13(17)9-7-12/h6-9,11,15,17H,4-5,10H2,1-3H3
InChIKeyPATZOEXIMWJVKU-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

ethyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]acetate
CID 60811877
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342
4-[3-(3-methylbutylamino)butyl]phenol
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N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide
CID 107640502
4-[4-(4-hydroxyphenyl)butan-2-ylamino]butanoic acid
CID 54920474
3-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanenitrile
CID 62646914
4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol
CID 104861930
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[3-(2-methylsulfinylpropylamino)butyl]phenol
CID 113470908
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide (CID 43310878) is 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide is CC(CCc1ccc(O)cc1)NCC(=O)N(C)C.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide?
The InChIKey is PATZOEXIMWJVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(15-10-14(18)16(2)3)4-5-12-6-8-13(17)9-7-12/h6-9,11,15,17H,4-5,10H2,1-3H3.
What are the key properties of 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide?
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide 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 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43310878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).