N-octan-2-yl-4-(propylamino)benzamide

C18H30N2O — CID 63500795

IUPACN-octan-2-yl-4-(propylamino)benzamide
SMILESCCCCCCC(C)NC(=O)c1ccc(NCCC)cc1
InChIInChI=1S/C18H30N2O/c1-4-6-7-8-9-15(3)20-18(21)16-10-12-17(13-11-16)19-14-5-2/h10-13,15,19H,4-9,14H2,1-3H3,(H,20,21)
InChIKeyMCLQYJQUYFRGOM-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.60
Rot. Bonds10

About N-octan-2-yl-4-(propylamino)benzamide

N-octan-2-yl-4-(propylamino)benzamide (PubChem CID 63500795) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-octan-2-yl-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-octan-2-yl-4-(propylamino)benzamide
PubChem CID63500795
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-octan-2-yl-4-(propylamino)benzamide
SMILESCCCCCCC(C)NC(=O)c1ccc(NCCC)cc1
InChIInChI=1S/C18H30N2O/c1-4-6-7-8-9-15(3)20-18(21)16-10-12-17(13-11-16)19-14-5-2/h10-13,15,19H,4-9,14H2,1-3H3,(H,20,21)
InChIKeyMCLQYJQUYFRGOM-UHFFFAOYSA-N
XLogP4.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.60
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-butan-2-yl-4-(propylamino)benzamide
CID 62171300
4-(heptylamino)-N-propan-2-ylbenzamide
CID 60935201
N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 104640604
N-octan-2-yl-4-sulfanylbenzamide
CID 107025266
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
4-(bromomethyl)-N-octan-2-ylbenzamide
CID 102851160
N-pentyl-4-(propylamino)benzamide
CID 62185567
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776
4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
CID 43019430
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840779

Frequently Asked Questions

What is the IUPAC name of N-octan-2-yl-4-(propylamino)benzamide?
The IUPAC name of N-octan-2-yl-4-(propylamino)benzamide (CID 63500795) is N-octan-2-yl-4-(propylamino)benzamide.
What is the SMILES notation for N-octan-2-yl-4-(propylamino)benzamide?
The canonical SMILES for N-octan-2-yl-4-(propylamino)benzamide is CCCCCCC(C)NC(=O)c1ccc(NCCC)cc1.
What is the InChIKey of N-octan-2-yl-4-(propylamino)benzamide?
The InChIKey is MCLQYJQUYFRGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-6-7-8-9-15(3)20-18(21)16-10-12-17(13-11-16)19-14-5-2/h10-13,15,19H,4-9,14H2,1-3H3,(H,20,21).
What are the key properties of N-octan-2-yl-4-(propylamino)benzamide?
N-octan-2-yl-4-(propylamino)benzamide has a molecular weight of 290.45 g/mol, XLogP of 4.60, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-yl-4-(propylamino)benzamide is sourced from PubChem (CID 63500795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).