3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide

C14H21N3O3 — CID 169232226

IUPAC3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide
SMILESCNC(Cc1ccc(O)cc1)C(=O)NNC(C)C(C)=O
InChIInChI=1S/C14H21N3O3/c1-9(10(2)18)16-17-14(20)13(15-3)8-11-4-6-12(19)7-5-11/h4-7,9,13,15-16,19H,8H2,1-3H3,(H,17,20)
InChIKeyPFHRBDIGZHXYLN-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.12
Rot. Bonds7

About 3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide

3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide (PubChem CID 169232226) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide
PubChem CID169232226
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide
SMILESCNC(Cc1ccc(O)cc1)C(=O)NNC(C)C(C)=O
InChIInChI=1S/C14H21N3O3/c1-9(10(2)18)16-17-14(20)13(15-3)8-11-4-6-12(19)7-5-11/h4-7,9,13,15-16,19H,8H2,1-3H3,(H,17,20)
InChIKeyPFHRBDIGZHXYLN-UHFFFAOYSA-N
XLogP0.12
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-4-(4-hydroxyphenyl)-3-(methylamino)butan-2-one;(3S)-4-methyl-3-(methylamino)pentan-2-one
CID 158587463
(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 56845306
N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 167132933
azane;3-(4-hydroxyphenyl)-2-(methylamino)propanamide;3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
CID 158661642
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 70568931
(2R)-3-(4-hydroxyphenyl)-2-[[2-methyl-3-(methylamino)propanoyl]amino]propanoic acid
CID 103870739
(2S)-2-[(3-amino-2-methylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 55104944
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
methyl 2-[(4-hydroxyphenyl)methyl]-3-oxobutanoate
CID 54108522
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 19950038
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
CID 10093280

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide?
The IUPAC name of 3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide (CID 169232226) is 3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide is CNC(Cc1ccc(O)cc1)C(=O)NNC(C)C(C)=O.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide?
The InChIKey is PFHRBDIGZHXYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(10(2)18)16-17-14(20)13(15-3)8-11-4-6-12(19)7-5-11/h4-7,9,13,15-16,19H,8H2,1-3H3,(H,17,20).
What are the key properties of 3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide?
3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide has a molecular weight of 279.34 g/mol, XLogP of 0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-(methylamino)-N'-(3-oxobutan-2-yl)propanehydrazide is sourced from PubChem (CID 169232226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).