3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide

C14H22N2O2 — CID 55104650

IUPAC3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)C(C)CN
InChIInChI=1S/C14H22N2O2/c1-10(9-15)14(18)16-11(2)3-4-12-5-7-13(17)8-6-12/h5-8,10-11,17H,3-4,9,15H2,1-2H3,(H,16,18)
InChIKeyYWXHYWKCOLBLLJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.42
Rot. Bonds6

About 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide

3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide (PubChem CID 55104650) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
PubChem CID55104650
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)C(C)CN
InChIInChI=1S/C14H22N2O2/c1-10(9-15)14(18)16-11(2)3-4-12-5-7-13(17)8-6-12/h5-8,10-11,17H,3-4,9,15H2,1-2H3,(H,16,18)
InChIKeyYWXHYWKCOLBLLJ-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[4-(4-hydroxyphenyl)butan-2-ylamino]-4-oxobutanoic acid
CID 64896095
(2S)-2-[(3-amino-2-methylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 55104944
4-[3-(1-aminopropan-2-ylamino)butyl]phenol
CID 103388958
4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide
CID 80543602
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide
CID 61212956
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]propanamide
CID 18598850
methyl (2S)-2-[4-(4-hydroxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43452164
1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111337923
(2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide
CID 97019721
(2S)-N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 99798085
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
ethyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]acetate
CID 60811877

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide (CID 55104650) is 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide is CC(CCc1ccc(O)cc1)NC(=O)C(C)CN.
What is the InChIKey of 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide?
The InChIKey is YWXHYWKCOLBLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(9-15)14(18)16-11(2)3-4-12-5-7-13(17)8-6-12/h5-8,10-11,17H,3-4,9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide?
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55104650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).