N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide

C31H37N3O3 — CID 58982108

IUPACN-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide
SMILESNc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C31H37N3O3/c32-28-7-5-6-8-29(28)33-31(36)10-4-2-1-3-9-30(35)27-17-15-26(16-18-27)25-13-11-24(12-14-25)23-34-19-21-37-22-20-34/h5-8,11-18H,1-4,9-10,19-23,32H2,(H,33,36)
InChIKeyLLVQNMPWYNLSNJ-UHFFFAOYSA-N
MW499.66 g/mol
LogP5.93
Rot. Bonds12

About N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide

N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide (PubChem CID 58982108) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide
PubChem CID58982108
Molecular FormulaC31H37N3O3
Molecular Weight499.66 g/mol
Exact Mass499.28
IUPAC NameN-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide
SMILESNc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C31H37N3O3/c32-28-7-5-6-8-29(28)33-31(36)10-4-2-1-3-9-30(35)27-17-15-26(16-18-27)25-13-11-24(12-14-25)23-34-19-21-37-22-20-34/h5-8,11-18H,1-4,9-10,19-23,32H2,(H,33,36)
InChIKeyLLVQNMPWYNLSNJ-UHFFFAOYSA-N
XLogP5.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 113220983
7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide
CID 119890381
[2-(2-fluoroanilino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769445
6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide
CID 108754514
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119422749
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769208
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
6-amino-N-(2-morpholin-4-ylphenyl)hexanamide
CID 43708115
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide
CID 159516285

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide?
The IUPAC name of N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide (CID 58982108) is N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide.
What is the SMILES notation for N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide?
The canonical SMILES for N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide is Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide?
The InChIKey is LLVQNMPWYNLSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O3/c32-28-7-5-6-8-29(28)33-31(36)10-4-2-1-3-9-30(35)27-17-15-26(16-18-27)25-13-11-24(12-14-25)23-34-19-21-37-22-20-34/h5-8,11-18H,1-4,9-10,19-23,32H2,(H,33,36).
What are the key properties of N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide?
N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide has a molecular weight of 499.66 g/mol, XLogP of 5.93, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-8-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-8-oxooctanamide is sourced from PubChem (CID 58982108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).