N-cyclopropyl-4-(pentylamino)benzamide

C15H22N2O — CID 43687480

IUPACN-cyclopropyl-4-(pentylamino)benzamide
SMILESCCCCCNc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-3-4-11-16-13-7-5-12(6-8-13)15(18)17-14-9-10-14/h5-8,14,16H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyCDRZAAKQXZJOLH-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.18
Rot. Bonds7

About N-cyclopropyl-4-(pentylamino)benzamide

N-cyclopropyl-4-(pentylamino)benzamide (PubChem CID 43687480) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-cyclopropyl-4-(pentylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(pentylamino)benzamide
PubChem CID43687480
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-cyclopropyl-4-(pentylamino)benzamide
SMILESCCCCCNc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-3-4-11-16-13-7-5-12(6-8-13)15(18)17-14-9-10-14/h5-8,14,16H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyCDRZAAKQXZJOLH-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-4-(propylamino)benzamide
CID 55067083
N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide
CID 43687486
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072
N-(3-methylcyclopentyl)-4-(propylamino)benzamide
CID 114540645
N-ethyl-4-(hexylamino)benzamide
CID 43728484
N-pentyl-4-(propylamino)benzamide
CID 62185567
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288
4-(heptylamino)-N-propan-2-ylbenzamide
CID 60935201
4-(pentylamino)benzoate
CID 53422656
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
CID 81413351
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(pentylamino)benzamide?
The IUPAC name of N-cyclopropyl-4-(pentylamino)benzamide (CID 43687480) is N-cyclopropyl-4-(pentylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(pentylamino)benzamide?
The canonical SMILES for N-cyclopropyl-4-(pentylamino)benzamide is CCCCCNc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(pentylamino)benzamide?
The InChIKey is CDRZAAKQXZJOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-4-11-16-13-7-5-12(6-8-13)15(18)17-14-9-10-14/h5-8,14,16H,2-4,9-11H2,1H3,(H,17,18).
What are the key properties of N-cyclopropyl-4-(pentylamino)benzamide?
N-cyclopropyl-4-(pentylamino)benzamide has a molecular weight of 246.35 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(pentylamino)benzamide is sourced from PubChem (CID 43687480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).