2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide

C24H32N2O3 — CID 60585839

IUPAC2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)Nc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C24H32N2O3/c1-18(29-22-10-6-8-20(16-22)24(2,3)4)23(27)25-21-9-5-7-19(15-21)17-26-11-13-28-14-12-26/h5-10,15-16,18H,11-14,17H2,1-4H3,(H,25,27)
InChIKeyRKRRVZWZMAFNCX-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.22
Rot. Bonds6

About 2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide

2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 60585839) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
PubChem CID60585839
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)Nc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C24H32N2O3/c1-18(29-22-10-6-8-20(16-22)24(2,3)4)23(27)25-21-9-5-7-19(15-21)17-26-11-13-28-14-12-26/h5-10,15-16,18H,11-14,17H2,1-4H3,(H,25,27)
InChIKeyRKRRVZWZMAFNCX-UHFFFAOYSA-N
XLogP4.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenoxy-2-phenylacetamide
CID 47776428
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide
CID 55774306
2-(4-chlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108754563
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 46600220
2-(2-methoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131930532
N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 55770987
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 19537582
1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 60520535
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 19535765
[3-(morpholin-4-ylmethyl)phenyl]thiourea
CID 97033783

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide (CID 60585839) is 2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide is CC(Oc1cccc(C(C)(C)C)c1)C(=O)Nc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is RKRRVZWZMAFNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-18(29-22-10-6-8-20(16-22)24(2,3)4)23(27)25-21-9-5-7-19(15-21)17-26-11-13-28-14-12-26/h5-10,15-16,18H,11-14,17H2,1-4H3,(H,25,27).
What are the key properties of 2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide?
2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 396.53 g/mol, XLogP of 4.22, 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-[3-(morpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 60585839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).