N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide

C15H24N2O2 — CID 103768915

IUPACN-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide
SMILESCCC(C)(CCO)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H24N2O2/c1-4-15(3,9-10-18)16-11-13-5-7-14(8-6-13)17-12(2)19/h5-8,16,18H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyAGWKMMRFTIBVPM-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.29
Rot. Bonds7

About N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide

N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide (PubChem CID 103768915) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide
PubChem CID103768915
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide
SMILESCCC(C)(CCO)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H24N2O2/c1-4-15(3,9-10-18)16-11-13-5-7-14(8-6-13)17-12(2)19/h5-8,16,18H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyAGWKMMRFTIBVPM-UHFFFAOYSA-N
XLogP2.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide 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

2-(4-acetamidophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103946030
N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide
CID 103707998
[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
CID 103947270
3-(furan-3-ylmethylamino)-3-methylpentan-1-ol
CID 115699077
2-(4-acetamidophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115869949
2-[4-[(3-methylpentan-3-ylamino)methyl]phenyl]acetic acid
CID 106330128
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218
3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol
CID 106172243
N-[4-(2,2-dimethylpropyl)phenyl]acetamide
CID 825793
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpentanamide
CID 61258515
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)-3-methylpentan-1-ol
CID 106172276

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide (CID 103768915) is N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide is CCC(C)(CCO)NCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide?
The InChIKey is AGWKMMRFTIBVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-15(3,9-10-18)16-11-13-5-7-14(8-6-13)17-12(2)19/h5-8,16,18H,4,9-11H2,1-3H3,(H,17,19).
What are the key properties of N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide?
N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide has a molecular weight of 264.37 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 103768915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).