2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide

C22H30N2O3 — CID 54824959

IUPAC2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCCCCOc1cccc(NCC(=O)Nc2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C22H30N2O3/c1-4-5-13-26-21-8-6-7-19(14-21)23-15-22(25)24-18-9-11-20(12-10-18)27-16-17(2)3/h6-12,14,17,23H,4-5,13,15-16H2,1-3H3,(H,24,25)
InChIKeyVPNXKDTZMZDLAZ-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.95
Rot. Bonds11

About 2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide

2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide (PubChem CID 54824959) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
PubChem CID54824959
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCCCCOc1cccc(NCC(=O)Nc2ccc(OCC(C)C)cc2)c1
InChIInChI=1S/C22H30N2O3/c1-4-5-13-26-21-8-6-7-19(14-21)23-15-22(25)24-18-9-11-20(12-10-18)27-16-17(2)3/h6-12,14,17,23H,4-5,13,15-16H2,1-3H3,(H,24,25)
InChIKeyVPNXKDTZMZDLAZ-UHFFFAOYSA-N
XLogP4.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54820471
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide (CID 54824959) is 2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide is CCCCOc1cccc(NCC(=O)Nc2ccc(OCC(C)C)cc2)c1.
What is the InChIKey of 2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is VPNXKDTZMZDLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-5-13-26-21-8-6-7-19(14-21)23-15-22(25)24-18-9-11-20(12-10-18)27-16-17(2)3/h6-12,14,17,23H,4-5,13,15-16H2,1-3H3,(H,24,25).
What are the key properties of 2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide?
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 370.49 g/mol, XLogP of 4.95, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54824959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).