N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide

C26H36N2O — CID 25139481

IUPACN-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide
SMILESCCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C26H36N2O/c1-2-20-28(25-13-7-4-8-14-25)21-10-9-19-27-26(29)24-17-15-23(16-18-24)22-11-5-3-6-12-22/h3,5-6,11-12,15-18,25H,2,4,7-10,13-14,19-21H2,1H3,(H,27,29)
InChIKeyDPLNSFBAHKTNGS-UHFFFAOYSA-N
MW392.59 g/mol
LogP5.91
Rot. Bonds10

About N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide

N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide (PubChem CID 25139481) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide
PubChem CID25139481
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC NameN-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide
SMILESCCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C26H36N2O/c1-2-20-28(25-13-7-4-8-14-25)21-10-9-19-27-26(29)24-17-15-23(16-18-24)22-11-5-3-6-12-22/h3,5-6,11-12,15-18,25H,2,4,7-10,13-14,19-21H2,1H3,(H,27,29)
InChIKeyDPLNSFBAHKTNGS-UHFFFAOYSA-N
XLogP5.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Procarbazine
CID 4915
N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
AR-M1000390
CID 9841259
N,N-Dibenzylbenzamide
CID 101312
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
N-Benzoylbenzylamine
CID 73878
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
N-Isopropylbenzamide
CID 79503
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide (CID 25139481) is N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide is CCCN(CCCCNC(=O)c1ccc(-c2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide?
The InChIKey is DPLNSFBAHKTNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-2-20-28(25-13-7-4-8-14-25)21-10-9-19-27-26(29)24-17-15-23(16-18-24)22-11-5-3-6-12-22/h3,5-6,11-12,15-18,25H,2,4,7-10,13-14,19-21H2,1H3,(H,27,29).
What are the key properties of N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide?
N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide has a molecular weight of 392.59 g/mol, XLogP of 5.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(propyl)amino]butyl]-4-phenylbenzamide is sourced from PubChem (CID 25139481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).