4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide

C14H22N2O2 — CID 103700904

IUPAC4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide
SMILESCC(C)C(CCO)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(7-8-17)16-9-11-3-5-12(6-4-11)14(15)18/h3-6,10,13,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKeyRTNZYSCVFNKWLT-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.28
Rot. Bonds7

About 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide

4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide (PubChem CID 103700904) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide
PubChem CID103700904
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide
SMILESCC(C)C(CCO)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(7-8-17)16-9-11-3-5-12(6-4-11)14(15)18/h3-6,10,13,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKeyRTNZYSCVFNKWLT-UHFFFAOYSA-N
XLogP1.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 111469148
2-[4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenyl]propanoic acid
CID 106350938
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 60674315
4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide
CID 34716636
4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide
CID 43283523
3-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzoic acid
CID 106350971
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzene-1,2-diol
CID 113357899
4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
4-[(4-ethylsulfanylbutan-2-ylamino)methyl]benzamide
CID 115660454
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide
CID 43783642

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide?
The IUPAC name of 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide (CID 103700904) is 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide is CC(C)C(CCO)NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide?
The InChIKey is RTNZYSCVFNKWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(7-8-17)16-9-11-3-5-12(6-4-11)14(15)18/h3-6,10,13,16-17H,7-9H2,1-2H3,(H2,15,18).
What are the key properties of 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide?
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide is sourced from PubChem (CID 103700904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).