N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide

C27H27N3O5 — CID 2958215

IUPACN-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)cc3)CCCC2)cc1
InChIInChI=1S/C27H27N3O5/c1-35-24-14-10-22(11-15-24)29-26(32)27(16-2-3-17-27)20-6-8-21(9-7-20)28-25(31)18-19-4-12-23(13-5-19)30(33)34/h4-15H,2-3,16-18H2,1H3,(H,28,31)(H,29,32)
InChIKeyBTXXASIVHUETHY-UHFFFAOYSA-N
MW473.53 g/mol
LogP5.24
Rot. Bonds8

About N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide

N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide (PubChem CID 2958215) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide
PubChem CID2958215
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC NameN-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)cc3)CCCC2)cc1
InChIInChI=1S/C27H27N3O5/c1-35-24-14-10-22(11-15-24)29-26(32)27(16-2-3-17-27)20-6-8-21(9-7-20)28-25(31)18-19-4-12-23(13-5-19)30(33)34/h4-15H,2-3,16-18H2,1H3,(H,28,31)(H,29,32)
InChIKeyBTXXASIVHUETHY-UHFFFAOYSA-N
XLogP5.24
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-butan-2-yloxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 133179608
N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659626
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659441
N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 21216723
2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 2947308
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100668327
N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 3120388
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182
N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100770596
1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 100789042

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide (CID 2958215) is N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2(c3ccc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)cc3)CCCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide?
The InChIKey is BTXXASIVHUETHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-35-24-14-10-22(11-15-24)29-26(32)27(16-2-3-17-27)20-6-8-21(9-7-20)28-25(31)18-19-4-12-23(13-5-19)30(33)34/h4-15H,2-3,16-18H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide?
N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 2958215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).