2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide

C26H35N3O3 — CID 55780106

IUPAC2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C26H35N3O3/c1-19(32-23-8-6-7-22(17-23)26(2,3)4)24(30)27-18-20-9-11-21(12-10-20)25(31)29-15-13-28(5)14-16-29/h6-12,17,19H,13-16,18H2,1-5H3,(H,27,30)
InChIKeyYZSDIQOVMPKHHO-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.46
Rot. Bonds6

About 2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide

2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide (PubChem CID 55780106) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
PubChem CID55780106
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C26H35N3O3/c1-19(32-23-8-6-7-22(17-23)26(2,3)4)24(30)27-18-20-9-11-21(12-10-20)25(31)29-15-13-28(5)14-16-29/h6-12,17,19H,13-16,18H2,1-5H3,(H,27,30)
InChIKeyYZSDIQOVMPKHHO-UHFFFAOYSA-N
XLogP3.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55709018
2-(3-tert-butylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 46490501
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55709132
2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 43043470
2-(3-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55728053
2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
CID 18119539
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide
CID 53093735
2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 86984881
(2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 99959505
2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56919529
N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride
CID 119995526

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide (CID 55780106) is 2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide is CC(Oc1cccc(C(C)(C)C)c1)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide?
The InChIKey is YZSDIQOVMPKHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-19(32-23-8-6-7-22(17-23)26(2,3)4)24(30)27-18-20-9-11-21(12-10-20)25(31)29-15-13-28(5)14-16-29/h6-12,17,19H,13-16,18H2,1-5H3,(H,27,30).
What are the key properties of 2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide?
2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide has a molecular weight of 437.58 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55780106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).