N-[3-anilino-3-(3-butylphenyl)propyl]benzamide

C26H30N2O — CID 20505007

IUPACN-[3-anilino-3-(3-butylphenyl)propyl]benzamide
SMILESCCCCc1cccc(C(CCNC(=O)c2ccccc2)Nc2ccccc2)c1
InChIInChI=1S/C26H30N2O/c1-2-3-11-21-12-10-15-23(20-21)25(28-24-16-8-5-9-17-24)18-19-27-26(29)22-13-6-4-7-14-22/h4-10,12-17,20,25,28H,2-3,11,18-19H2,1H3,(H,27,29)
InChIKeyZCJFNDYCHDVZID-UHFFFAOYSA-N
MW386.54 g/mol
LogP6.00
Rot. Bonds10

About N-[3-anilino-3-(3-butylphenyl)propyl]benzamide

N-[3-anilino-3-(3-butylphenyl)propyl]benzamide (PubChem CID 20505007) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[3-anilino-3-(3-butylphenyl)propyl]benzamide.

Molecular Properties

Compound NameN-[3-anilino-3-(3-butylphenyl)propyl]benzamide
PubChem CID20505007
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC NameN-[3-anilino-3-(3-butylphenyl)propyl]benzamide
SMILESCCCCc1cccc(C(CCNC(=O)c2ccccc2)Nc2ccccc2)c1
InChIInChI=1S/C26H30N2O/c1-2-3-11-21-12-10-15-23(20-21)25(28-24-16-8-5-9-17-24)18-19-27-26(29)22-13-6-4-7-14-22/h4-10,12-17,20,25,28H,2-3,11,18-19H2,1H3,(H,27,29)
InChIKeyZCJFNDYCHDVZID-UHFFFAOYSA-N
XLogP6.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide
CID 20504940
N-[3-(2-methylanilino)-3-phenylpropyl]benzamide
CID 20504938
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
N-(2-phenylhexyl)benzamide
CID 59942443
1-ethyl-3-[3-[1-(2-phenylethylamino)pentyl]phenyl]urea
CID 70411925
N-butyl-3-(4-hydroxybutyl)benzamide
CID 54320849
N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide
CID 95787778
N-(3-phenylbutyl)benzamide
CID 62403316
N-(3-anilino-3-phenylpropyl)-2-chloroacetamide
CID 13121261
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
N-(3,4-diaminodecyl)benzamide
CID 174528291

Frequently Asked Questions

What is the IUPAC name of N-[3-anilino-3-(3-butylphenyl)propyl]benzamide?
The IUPAC name of N-[3-anilino-3-(3-butylphenyl)propyl]benzamide (CID 20505007) is N-[3-anilino-3-(3-butylphenyl)propyl]benzamide.
What is the SMILES notation for N-[3-anilino-3-(3-butylphenyl)propyl]benzamide?
The canonical SMILES for N-[3-anilino-3-(3-butylphenyl)propyl]benzamide is CCCCc1cccc(C(CCNC(=O)c2ccccc2)Nc2ccccc2)c1.
What is the InChIKey of N-[3-anilino-3-(3-butylphenyl)propyl]benzamide?
The InChIKey is ZCJFNDYCHDVZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-2-3-11-21-12-10-15-23(20-21)25(28-24-16-8-5-9-17-24)18-19-27-26(29)22-13-6-4-7-14-22/h4-10,12-17,20,25,28H,2-3,11,18-19H2,1H3,(H,27,29).
What are the key properties of N-[3-anilino-3-(3-butylphenyl)propyl]benzamide?
N-[3-anilino-3-(3-butylphenyl)propyl]benzamide has a molecular weight of 386.54 g/mol, XLogP of 6.00, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-anilino-3-(3-butylphenyl)propyl]benzamide is sourced from PubChem (CID 20505007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).