N-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide

C22H28N2O3 — CID 2802629

IUPACN-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide
SMILESCC(=O)Nc1cccc(OCCCNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-16(25)24-19-7-5-8-20(15-19)27-14-6-13-23-21(26)17-9-11-18(12-10-17)22(2,3)4/h5,7-12,15H,6,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyVMOMGDZUAMFFRO-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.14
Rot. Bonds7

About N-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide

N-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide (PubChem CID 2802629) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide
PubChem CID2802629
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide
SMILESCC(=O)Nc1cccc(OCCCNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-16(25)24-19-7-5-8-20(15-19)27-14-6-13-23-21(26)17-9-11-18(12-10-17)22(2,3)4/h5,7-12,15H,6,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyVMOMGDZUAMFFRO-UHFFFAOYSA-N
XLogP4.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide?
The IUPAC name of N-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide (CID 2802629) is N-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide is CC(=O)Nc1cccc(OCCCNC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide?
The InChIKey is VMOMGDZUAMFFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(25)24-19-7-5-8-20(15-19)27-14-6-13-23-21(26)17-9-11-18(12-10-17)22(2,3)4/h5,7-12,15H,6,13-14H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide?
N-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetamidophenoxy)propyl]-4-tert-butylbenzamide is sourced from PubChem (CID 2802629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).