2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide

C14H22N2O2 — CID 61212956

IUPAC2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide
SMILESCC(CCc1ccc(O)cc1)NC(C)(C)C(N)=O
InChIInChI=1S/C14H22N2O2/c1-10(16-14(2,3)13(15)18)4-5-11-6-8-12(17)9-7-11/h6-10,16-17H,4-5H2,1-3H3,(H2,15,18)
InChIKeyFVZWACGRLYFZGK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.57
Rot. Bonds6

About 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide

2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide (PubChem CID 61212956) 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]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide
PubChem CID61212956
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide
SMILESCC(CCc1ccc(O)cc1)NC(C)(C)C(N)=O
InChIInChI=1S/C14H22N2O2/c1-10(16-14(2,3)13(15)18)4-5-11-6-8-12(17)9-7-11/h6-10,16-17H,4-5H2,1-3H3,(H2,15,18)
InChIKeyFVZWACGRLYFZGK-UHFFFAOYSA-N
XLogP1.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanoate
CID 43726104
4-[3-(2-methylbutan-2-ylamino)butyl]phenol
CID 43824453
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
CID 55104650
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
4-(3-aminobutyl)phenol;2,2-dimethylpropanal
CID 142227627
3-amino-4-[4-(4-hydroxyphenyl)butan-2-ylamino]-4-oxobutanoic acid
CID 64896095
4-[3-(1-aminopropan-2-ylamino)butyl]phenol
CID 103388958
4-[3-(2,2,3-trimethylbutylamino)butyl]phenol
CID 102673404
methyl (2S)-2-[4-(4-hydroxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43452164
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111438069
1-(2-hydroxy-2,3-dimethylbutyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111120894
4-[(3S)-3-[[(2S)-6-hydroxy-6-methylheptan-2-yl]amino]butyl]phenol
CID 39817717

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide?
The IUPAC name of 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide (CID 61212956) is 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide is CC(CCc1ccc(O)cc1)NC(C)(C)C(N)=O.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide?
The InChIKey is FVZWACGRLYFZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(16-14(2,3)13(15)18)4-5-11-6-8-12(17)9-7-11/h6-10,16-17H,4-5H2,1-3H3,(H2,15,18).
What are the key properties of 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide?
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide is sourced from PubChem (CID 61212956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).