N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide

C23H32N2O3 — CID 54824740

IUPACN-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
SMILESCCCCOc1cccc(NC(=O)CNc2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C23H32N2O3/c1-4-5-13-27-22-11-7-9-20(16-22)25-23(26)17-24-19-8-6-10-21(15-19)28-14-12-18(2)3/h6-11,15-16,18,24H,4-5,12-14,17H2,1-3H3,(H,25,26)
InChIKeyAXKPKMFXCYVJFX-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.34
Rot. Bonds12

About N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide

N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide (PubChem CID 54824740) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
PubChem CID54824740
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
SMILESCCCCOc1cccc(NC(=O)CNc2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C23H32N2O3/c1-4-5-13-27-22-11-7-9-20(16-22)25-23(26)17-24-19-8-6-10-21(15-19)28-14-12-18(2)3/h6-11,15-16,18,24H,4-5,12-14,17H2,1-3H3,(H,25,26)
InChIKeyAXKPKMFXCYVJFX-UHFFFAOYSA-N
XLogP5.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.34
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

N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838866
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825133
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54824232
N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54839290

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The IUPAC name of N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide (CID 54824740) is N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide.
What is the SMILES notation for N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The canonical SMILES for N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide is CCCCOc1cccc(NC(=O)CNc2cccc(OCCC(C)C)c2)c1.
What is the InChIKey of N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The InChIKey is AXKPKMFXCYVJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-4-5-13-27-22-11-7-9-20(16-22)25-23(26)17-24-19-8-6-10-21(15-19)28-14-12-18(2)3/h6-11,15-16,18,24H,4-5,12-14,17H2,1-3H3,(H,25,26).
What are the key properties of N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide has a molecular weight of 384.52 g/mol, XLogP of 5.34, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide is sourced from PubChem (CID 54824740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).