N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide

C19H31N3O3 — CID 99927646

IUPACN-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide
SMILESCN1CCN(Cc2ccc(OCC(=O)NC(C)(C)C)cc2)C[C@H]1CO
InChIInChI=1S/C19H31N3O3/c1-19(2,3)20-18(24)14-25-17-7-5-15(6-8-17)11-22-10-9-21(4)16(12-22)13-23/h5-8,16,23H,9-14H2,1-4H3,(H,20,24)/t16-/m0/s1
InChIKeyUJSNTWGSNYZAMI-INIZCTEOSA-N
MW349.48 g/mol
LogP1.09
Rot. Bonds6

About N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide

N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide (PubChem CID 99927646) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide
PubChem CID99927646
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide
SMILESCN1CCN(Cc2ccc(OCC(=O)NC(C)(C)C)cc2)C[C@H]1CO
InChIInChI=1S/C19H31N3O3/c1-19(2,3)20-18(24)14-25-17-7-5-15(6-8-17)11-22-10-9-21(4)16(12-22)13-23/h5-8,16,23H,9-14H2,1-4H3,(H,20,24)/t16-/m0/s1
InChIKeyUJSNTWGSNYZAMI-INIZCTEOSA-N
XLogP1.09
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]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

N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45220474
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
CID 47096345
4-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66525531
2-[4-(2-aminopropyl)phenoxy]-N-tert-butylacetamide
CID 54930613
2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 45213559
[(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99930583
N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17295535
N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 9130798
N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide
CID 66525538
N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 8505748
2-[4-[(1-adamantylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
CID 126460198

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide (CID 99927646) is N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide is CN1CCN(Cc2ccc(OCC(=O)NC(C)(C)C)cc2)C[C@H]1CO.
What is the InChIKey of N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is UJSNTWGSNYZAMI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-19(2,3)20-18(24)14-25-17-7-5-15(6-8-17)11-22-10-9-21(4)16(12-22)13-23/h5-8,16,23H,9-14H2,1-4H3,(H,20,24)/t16-/m0/s1.
What are the key properties of N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide?
N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 349.48 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 99927646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).