3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide

C18H28N2O3 — CID 113122554

IUPAC3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)(C)C
InChIInChI=1S/C18H28N2O3/c1-13(2)23-16-9-7-15(8-10-16)19-17(22)11-12-20(14(3)21)18(4,5)6/h7-10,13H,11-12H2,1-6H3,(H,19,22)
InChIKeyPCLGQFIROBKSGF-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.45
Rot. Bonds6

About 3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide

3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 113122554) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID113122554
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)(C)C
InChIInChI=1S/C18H28N2O3/c1-13(2)23-16-9-7-15(8-10-16)19-17(22)11-12-20(14(3)21)18(4,5)6/h7-10,13H,11-12H2,1-6H3,(H,19,22)
InChIKeyPCLGQFIROBKSGF-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113116640
3-[acetyl(1-phenylethyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113119018
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129788
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122548
4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
CID 17161001
3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113122543
3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129331

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide (CID 113122554) is 3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(OC(C)C)cc1)C(C)(C)C.
What is the InChIKey of 3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is PCLGQFIROBKSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)23-16-9-7-15(8-10-16)19-17(22)11-12-20(14(3)21)18(4,5)6/h7-10,13H,11-12H2,1-6H3,(H,19,22).
What are the key properties of 3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide?
3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113122554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).