N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

C19H31N3O2 — CID 20619607

IUPACN-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCC(C)(C)c1cccc(NC(=O)CCN2CCN(CCO)CC2)c1
InChIInChI=1S/C19H31N3O2/c1-19(2,3)16-5-4-6-17(15-16)20-18(24)7-8-21-9-11-22(12-10-21)13-14-23/h4-6,15,23H,7-14H2,1-3H3,(H,20,24)
InChIKeyUVTSUUAUVFBBBO-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.92
Rot. Bonds6

About N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (PubChem CID 20619607) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
PubChem CID20619607
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCC(C)(C)c1cccc(NC(=O)CCN2CCN(CCO)CC2)c1
InChIInChI=1S/C19H31N3O2/c1-19(2,3)16-5-4-6-17(15-16)20-18(24)7-8-21-9-11-22(12-10-21)13-14-23/h4-6,15,23H,7-14H2,1-3H3,(H,20,24)
InChIKeyUVTSUUAUVFBBBO-UHFFFAOYSA-N
XLogP1.92
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912608
N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 2901262
N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 719526
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
CID 16793720
N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027175
N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28744833
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
tert-butyl 4-(3-anilino-3-oxopropyl)piperazine-1-carboxylate
CID 52579913

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (CID 20619607) is N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is CC(C)(C)c1cccc(NC(=O)CCN2CCN(CCO)CC2)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The InChIKey is UVTSUUAUVFBBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(2,3)16-5-4-6-17(15-16)20-18(24)7-8-21-9-11-22(12-10-21)13-14-23/h4-6,15,23H,7-14H2,1-3H3,(H,20,24).
What are the key properties of N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide has a molecular weight of 333.48 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 20619607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).