N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide

C28H37N3O3 — CID 83289075

IUPACN-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
SMILESO=C(Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1)NCCCN1CCOCC1
InChIInChI=1S/C28H37N3O3/c32-27(29-14-7-15-30-16-18-34-19-17-30)21-24-10-6-13-26(20-24)31(22-23-8-2-1-3-9-23)28(33)25-11-4-5-12-25/h1-3,6,8-10,13,20,25H,4-5,7,11-12,14-19,21-22H2,(H,29,32)
InChIKeyMAGVLBQGBPOMBW-UHFFFAOYSA-N
MW463.62 g/mol
LogP3.79
Rot. Bonds10

About N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide

N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide (PubChem CID 83289075) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
PubChem CID83289075
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC NameN-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
SMILESO=C(Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1)NCCCN1CCOCC1
InChIInChI=1S/C28H37N3O3/c32-27(29-14-7-15-30-16-18-34-19-17-30)21-24-10-6-13-26(20-24)31(22-23-8-2-1-3-9-23)28(33)25-11-4-5-12-25/h1-3,6,8-10,13,20,25H,4-5,7,11-12,14-19,21-22H2,(H,29,32)
InChIKeyMAGVLBQGBPOMBW-UHFFFAOYSA-N
XLogP3.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 46162426
N-[(4-methylphenyl)methyl]-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 42852829
N-benzyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]cyclopentanecarboxamide
CID 42859326
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057025
N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056561
N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056563
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 42856764
2-(3-hydroxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 62992551
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46056998
N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46052504
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide
CID 46056527
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 46057032

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide (CID 83289075) is N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide is O=C(Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1)NCCCN1CCOCC1.
What is the InChIKey of N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide?
The InChIKey is MAGVLBQGBPOMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c32-27(29-14-7-15-30-16-18-34-19-17-30)21-24-10-6-13-26(20-24)31(22-23-8-2-1-3-9-23)28(33)25-11-4-5-12-25/h1-3,6,8-10,13,20,25H,4-5,7,11-12,14-19,21-22H2,(H,29,32).
What are the key properties of N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide?
N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide has a molecular weight of 463.62 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 83289075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).