N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide

C18H27N3O3 — CID 2212314

IUPACN-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-2-3-4-17(22)20-16-7-5-15(6-8-16)18(23)19-9-10-21-11-13-24-14-12-21/h5-8H,2-4,9-14H2,1H3,(H,19,23)(H,20,22)
InChIKeyJESAYHKOBLPFKF-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.88
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide

N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide (PubChem CID 2212314) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide
PubChem CID2212314
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-2-3-4-17(22)20-16-7-5-15(6-8-16)18(23)19-9-10-21-11-13-24-14-12-21/h5-8H,2-4,9-14H2,1H3,(H,19,23)(H,20,22)
InChIKeyJESAYHKOBLPFKF-UHFFFAOYSA-N
XLogP1.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide (CID 2212314) is N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide?
The InChIKey is JESAYHKOBLPFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-3-4-17(22)20-16-7-5-15(6-8-16)18(23)19-9-10-21-11-13-24-14-12-21/h5-8H,2-4,9-14H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide?
N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide has a molecular weight of 333.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide is sourced from PubChem (CID 2212314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).