N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide

C20H34N2O — CID 70023627

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1
InChIInChI=1S/C20H34N2O/c1-6-7-8-9-18-10-12-19(13-11-18)20(23)21-14-15-22(16(2)3)17(4)5/h10-13,16-17H,6-9,14-15H2,1-5H3,(H,21,23)
InChIKeyUHCNGMNMELBJGI-UHFFFAOYSA-N
MW318.50 g/mol
LogP4.27
Rot. Bonds10

About N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide

N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide (PubChem CID 70023627) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide
PubChem CID70023627
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1
InChIInChI=1S/C20H34N2O/c1-6-7-8-9-18-10-12-19(13-11-18)20(23)21-14-15-22(16(2)3)17(4)5/h10-13,16-17H,6-9,14-15H2,1-5H3,(H,21,23)
InChIKeyUHCNGMNMELBJGI-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.27
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

N-[2-[di(propan-2-yl)amino]ethyl]-3,4-dipentoxybenzamide
CID 44758079
N-pentyl-4-propylbenzamide
CID 70894308
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-heptylbenzamide
CID 143018159
N-hexyl-4-propylbenzamide
CID 70894310
N-[2-[di(propan-2-yl)amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24560133
4-hexyl-N-(4,4,5,5,5-pentafluoropentyl)benzamide
CID 173258469
4-[[[[2-[di(propan-2-yl)amino]ethylamino]-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111248470
[[4-(dodecylcarbamoyl)phenyl]methyl-[(4-pentylphenyl)methyl]amino] acetate
CID 91504695
4-pentylbenzoyl bromide
CID 87349955
4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 23090890
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
1-[2-[di(propan-2-yl)amino]ethyl]-3-pentylurea
CID 4984668

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide (CID 70023627) is N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide is CCCCCc1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide?
The InChIKey is UHCNGMNMELBJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-6-7-8-9-18-10-12-19(13-11-18)20(23)21-14-15-22(16(2)3)17(4)5/h10-13,16-17H,6-9,14-15H2,1-5H3,(H,21,23).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide?
N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide has a molecular weight of 318.50 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide is sourced from PubChem (CID 70023627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).