N-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide

C30H44N2O3 — CID 139734028

IUPACN-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide
SMILESCCCCCC(CC(=O)Nc1cc(CN2CCOCC2)ccc1C(C)(C)C)c1ccccc1OC
InChIInChI=1S/C30H44N2O3/c1-6-7-8-11-24(25-12-9-10-13-28(25)34-5)21-29(33)31-27-20-23(14-15-26(27)30(2,3)4)22-32-16-18-35-19-17-32/h9-10,12-15,20,24H,6-8,11,16-19,21-22H2,1-5H3,(H,31,33)
InChIKeyDHTNBCOLDZMWLA-UHFFFAOYSA-N
MW480.69 g/mol
LogP6.52
Rot. Bonds11

About N-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide

N-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide (PubChem CID 139734028) has the molecular formula C30H44N2O3 and a molecular weight of 480.69 g/mol. Its IUPAC name is N-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide.

Molecular Properties

Compound NameN-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide
PubChem CID139734028
Molecular FormulaC30H44N2O3
Molecular Weight480.69 g/mol
Exact Mass480.34
IUPAC NameN-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide
SMILESCCCCCC(CC(=O)Nc1cc(CN2CCOCC2)ccc1C(C)(C)C)c1ccccc1OC
InChIInChI=1S/C30H44N2O3/c1-6-7-8-11-24(25-12-9-10-13-28(25)34-5)21-29(33)31-27-20-23(14-15-26(27)30(2,3)4)22-32-16-18-35-19-17-32/h9-10,12-15,20,24H,6-8,11,16-19,21-22H2,1-5H3,(H,31,33)
InChIKeyDHTNBCOLDZMWLA-UHFFFAOYSA-N
XLogP6.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.69
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-tert-butyl-5-(pyrazol-1-ylmethyl)phenyl]-3-(2-hydroxy-3-methoxyphenyl)octanamide
CID 139684191
N-[2-tert-butyl-5-(pyrazol-1-ylmethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)octanamide
CID 139684200
N-[2-tert-butyl-5-(hydroxymethyl)phenyl]-3-(3-methoxy-2-phenylmethoxyphenyl)octanamide
CID 139706319
N-[5-(aminomethyl)-2-tert-butylphenyl]-3-(2,4-dimethoxyphenyl)octanamide
CID 19348478
N-[2-tert-butyl-5-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2,4,6-trimethoxyphenyl)octanamide
CID 19348761
N-[2-tert-butyl-5-[3-(methylamino)-3-oxopropyl]phenyl]-3-(2,4,5-trimethoxyphenyl)octanamide
CID 19348484
N-[2-tert-butyl-5-(3-hydroxypropyl)phenyl]-3-(2,3,4-trimethoxyphenyl)octanamide
CID 139684178
N-[5-(bromomethyl)-2-tert-butylphenyl]-3-(3,4,5-trimethoxyphenyl)octanamide
CID 19348524
N-[2-tert-butyl-5-(1-hydroxyethyl)phenyl]-3-(3-methoxy-2-phenylmethoxyphenyl)octanamide
CID 139706379
3-(1,3-benzodioxol-4-yl)-N-[2-tert-butyl-5-(2-hydroxyethyl)phenyl]octanamide
CID 139684161
N-[2-tert-butyl-5-(sulfamoylmethyl)phenyl]-3-[2-methoxy-4-(2-methylpropylsulfonyl)phenyl]octanamide
CID 139784469
3-(1,3-benzodioxol-4-yl)-N-[2-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]octanamide
CID 67708202

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide?
The IUPAC name of N-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide (CID 139734028) is N-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide.
What is the SMILES notation for N-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide?
The canonical SMILES for N-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide is CCCCCC(CC(=O)Nc1cc(CN2CCOCC2)ccc1C(C)(C)C)c1ccccc1OC.
What is the InChIKey of N-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide?
The InChIKey is DHTNBCOLDZMWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O3/c1-6-7-8-11-24(25-12-9-10-13-28(25)34-5)21-29(33)31-27-20-23(14-15-26(27)30(2,3)4)22-32-16-18-35-19-17-32/h9-10,12-15,20,24H,6-8,11,16-19,21-22H2,1-5H3,(H,31,33).
What are the key properties of N-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide?
N-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide has a molecular weight of 480.69 g/mol, XLogP of 6.52, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-5-(morpholin-4-ylmethyl)phenyl]-3-(2-methoxyphenyl)octanamide is sourced from PubChem (CID 139734028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).