5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide

C27H44N4O3 — CID 42751352

IUPAC5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCCCC(CC)C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C27H44N4O3/c1-4-6-7-22(5-2)26(32)29-23-8-9-25(31-13-10-21(3)11-14-31)24(20-23)27(33)28-12-15-30-16-18-34-19-17-30/h8-9,20-22H,4-7,10-19H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyKKGVFPYNUUNAAK-UHFFFAOYSA-N
MW472.67 g/mol
LogP4.14
Rot. Bonds11

About 5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide

5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42751352) has the molecular formula C27H44N4O3 and a molecular weight of 472.67 g/mol. Its IUPAC name is 5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42751352
Molecular FormulaC27H44N4O3
Molecular Weight472.67 g/mol
Exact Mass472.34
IUPAC Name5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCCCC(CC)C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C27H44N4O3/c1-4-6-7-22(5-2)26(32)29-23-8-9-25(31-13-10-21(3)11-14-31)24(20-23)27(33)28-12-15-30-16-18-34-19-17-30/h8-9,20-22H,4-7,10-19H2,1-3H3,(H,28,33)(H,29,32)
InChIKeyKKGVFPYNUUNAAK-UHFFFAOYSA-N
XLogP4.14
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.67
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[[(2R)-2-ethylhexanoyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 7230501
5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 4015486
5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5141483
N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 42751350
5-(2-ethylhexanoylamino)-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5037076
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42751292
5-[(3-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 42751462
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide
CID 5234942
5-(2-ethylhexanoylamino)-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 3259477
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
CID 26244501
5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4039742
N-butan-2-yl-5-(2-ethylhexanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5204390

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide (CID 42751352) is 5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide is CCCCC(CC)C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is KKGVFPYNUUNAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N4O3/c1-4-6-7-22(5-2)26(32)29-23-8-9-25(31-13-10-21(3)11-14-31)24(20-23)27(33)28-12-15-30-16-18-34-19-17-30/h8-9,20-22H,4-7,10-19H2,1-3H3,(H,28,33)(H,29,32).
What are the key properties of 5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide?
5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 472.67 g/mol, XLogP of 4.14, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42751352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).