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

C22H30N2O2 — CID 109039645

IUPAC3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C22H30N2O2/c1-15(2)19-7-6-8-20(16(3)4)22(19)23-14-13-21(25)24-17-9-11-18(26-5)12-10-17/h6-12,15-16,23H,13-14H2,1-5H3,(H,24,25)
InChIKeyIBIYLRYVLZGWKB-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.38
Rot. Bonds8

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

3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide (PubChem CID 109039645) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide
PubChem CID109039645
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C22H30N2O2/c1-15(2)19-7-6-8-20(16(3)4)22(19)23-14-13-21(25)24-17-9-11-18(26-5)12-10-17/h6-12,15-16,23H,13-14H2,1-5H3,(H,24,25)
InChIKeyIBIYLRYVLZGWKB-UHFFFAOYSA-N
XLogP5.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109041113
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022544
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
3-(4-chloroanilino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 139806981
3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039656
3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039909
N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109013041
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide (CID 109039645) is 3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of 3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is IBIYLRYVLZGWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-15(2)19-7-6-8-20(16(3)4)22(19)23-14-13-21(25)24-17-9-11-18(26-5)12-10-17/h6-12,15-16,23H,13-14H2,1-5H3,(H,24,25).
What are the key properties of 3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide?
3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 354.49 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 109039645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).