N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide

C36H40N2O2 — CID 58250843

IUPACN-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(N(C(C)=O)c2ccc(-c3ccc(N(C(C)=O)c4ccc(CCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H40N2O2/c1-5-7-9-29-11-19-33(20-12-29)37(27(3)39)35-23-15-31(16-24-35)32-17-25-36(26-18-32)38(28(4)40)34-21-13-30(14-22-34)10-8-6-2/h11-26H,5-10H2,1-4H3
InChIKeyVVTHAMAHOHCXRX-UHFFFAOYSA-N
MW532.73 g/mol
LogP9.41
Rot. Bonds11

About N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide

N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide (PubChem CID 58250843) has the molecular formula C36H40N2O2 and a molecular weight of 532.73 g/mol. Its IUPAC name is N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide
PubChem CID58250843
Molecular FormulaC36H40N2O2
Molecular Weight532.73 g/mol
Exact Mass532.31
IUPAC NameN-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(N(C(C)=O)c2ccc(-c3ccc(N(C(C)=O)c4ccc(CCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H40N2O2/c1-5-7-9-29-11-19-33(20-12-29)37(27(3)39)35-23-15-31(16-24-35)32-17-25-36(26-18-32)38(28(4)40)34-21-13-30(14-22-34)10-8-6-2/h11-26H,5-10H2,1-4H3
InChIKeyVVTHAMAHOHCXRX-UHFFFAOYSA-N
XLogP9.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
4-(4-butylphenyl)benzoic acid;ethane
CID 144633228
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide
CID 59793191
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]boronic acid
CID 86093540
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
N-(4-butylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 91741509
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide
CID 134246359
ethyl 2-amino-3-[4-(4-butylphenyl)phenyl]propanoate
CID 170885040
1-[3-(4-butylphenyl)phenyl]ethanone
CID 11334246
1-octyl-4-(4-octylphenyl)benzene
CID 22766415

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide?
The IUPAC name of N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide (CID 58250843) is N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide.
What is the SMILES notation for N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide?
The canonical SMILES for N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide is CCCCc1ccc(N(C(C)=O)c2ccc(-c3ccc(N(C(C)=O)c4ccc(CCCC)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide?
The InChIKey is VVTHAMAHOHCXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2O2/c1-5-7-9-29-11-19-33(20-12-29)37(27(3)39)35-23-15-31(16-24-35)32-17-25-36(26-18-32)38(28(4)40)34-21-13-30(14-22-34)10-8-6-2/h11-26H,5-10H2,1-4H3.
What are the key properties of N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide?
N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide has a molecular weight of 532.73 g/mol, XLogP of 9.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide is sourced from PubChem (CID 58250843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).