5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide

C30H50N4O3 — CID 42751410

IUPAC5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C30H50N4O3/c1-2-3-4-5-6-7-8-9-10-14-29(35)32-26-15-16-28(34-19-11-12-20-34)27(25-26)30(36)31-17-13-18-33-21-23-37-24-22-33/h15-16,25H,2-14,17-24H2,1H3,(H,31,36)(H,32,35)
InChIKeyNQBUQPHHZPXLAU-UHFFFAOYSA-N
MW514.76 g/mol
LogP5.60
Rot. Bonds17

About 5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide

5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 42751410) has the molecular formula C30H50N4O3 and a molecular weight of 514.76 g/mol. Its IUPAC name is 5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID42751410
Molecular FormulaC30H50N4O3
Molecular Weight514.76 g/mol
Exact Mass514.39
IUPAC Name5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C30H50N4O3/c1-2-3-4-5-6-7-8-9-10-14-29(35)32-26-15-16-28(34-19-11-12-20-34)27(25-26)30(36)31-17-13-18-33-21-23-37-24-22-33/h15-16,25H,2-14,17-24H2,1H3,(H,31,36)(H,32,35)
InChIKeyNQBUQPHHZPXLAU-UHFFFAOYSA-N
XLogP5.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.76
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5141483
2-(4-benzylpiperidin-1-yl)-5-(decanoylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 42659443
5-(decanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 3919832
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5037032
5-(decanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4643650
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide
CID 42751400
N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide
CID 42755679
5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 3321862
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4039742

Frequently Asked Questions

What is the IUPAC name of 5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide (CID 42751410) is 5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide is CCCCCCCCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is NQBUQPHHZPXLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N4O3/c1-2-3-4-5-6-7-8-9-10-14-29(35)32-26-15-16-28(34-19-11-12-20-34)27(25-26)30(36)31-17-13-18-33-21-23-37-24-22-33/h15-16,25H,2-14,17-24H2,1H3,(H,31,36)(H,32,35).
What are the key properties of 5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide?
5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 514.76 g/mol, XLogP of 5.60, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42751410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).