N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide

C23H32N2O2 — CID 109022544

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C23H32N2O2/c1-16(2)20-7-6-8-21(17(3)4)23(20)25-22(26)13-14-24-15-18-9-11-19(27-5)12-10-18/h6-12,16-17,24H,13-15H2,1-5H3,(H,25,26)
InChIKeyFLAYTGFPYHAESL-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.06
Rot. Bonds9

About N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide

N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide (PubChem CID 109022544) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide
PubChem CID109022544
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C23H32N2O2/c1-16(2)20-7-6-8-21(17(3)4)23(20)25-22(26)13-14-24-15-18-9-11-19(27-5)12-10-18/h6-12,16-17,24H,13-15H2,1-5H3,(H,25,26)
InChIKeyFLAYTGFPYHAESL-UHFFFAOYSA-N
XLogP5.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021297
3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039645
3-(1,3-benzodioxol-5-ylmethylamino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 109022844
N-[2,6-di(propan-2-yl)phenyl]-3-[N-[(4-methoxyphenyl)methyl]anilino]propanamide
CID 139806920
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 109011721
3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109018986
N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022511
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 141421075
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997808
N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025996

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide (CID 109022544) is N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide is COc1ccc(CNCCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
The InChIKey is FLAYTGFPYHAESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-16(2)20-7-6-8-21(17(3)4)23(20)25-22(26)13-14-24-15-18-9-11-19(27-5)12-10-18/h6-12,16-17,24H,13-15H2,1-5H3,(H,25,26).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide has a molecular weight of 368.52 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 109022544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).