N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide

C18H19N3O3 — CID 46158649

IUPACN-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide
SMILESO=C(Cc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1)NC1CC1
InChIInChI=1S/C18H19N3O3/c22-18(20-16-8-9-16)11-13-4-6-15(7-5-13)19-12-14-2-1-3-17(10-14)21(23)24/h1-7,10,16,19H,8-9,11-12H2,(H,20,22)
InChIKeyYUMFUIINLJGQQV-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.03
Rot. Bonds7

About N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide

N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide (PubChem CID 46158649) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide
PubChem CID46158649
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide
SMILESO=C(Cc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1)NC1CC1
InChIInChI=1S/C18H19N3O3/c22-18(20-16-8-9-16)11-13-4-6-15(7-5-13)19-12-14-2-1-3-17(10-14)21(23)24/h1-7,10,16,19H,8-9,11-12H2,(H,20,22)
InChIKeyYUMFUIINLJGQQV-UHFFFAOYSA-N
XLogP3.03
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
2-[(3-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63098869
2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62505597
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
4-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 28615203
[3-[(3-nitrophenyl)methylamino]phenyl]methanol
CID 43231446
[3-[(3-nitrophenyl)methylamino]phenyl]carbamic acid
CID 66880539
[3-[(3-nitrophenyl)methylamino]phenyl]urea
CID 43744457
2-nitro-N-[(3-nitrophenyl)methyl]acetamide
CID 12512112
N-[(3-nitrophenyl)methyl]cyclohexanamine;oxalic acid
CID 17367766
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
CID 115737499

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide (CID 46158649) is N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide is O=C(Cc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide?
The InChIKey is YUMFUIINLJGQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-18(20-16-8-9-16)11-13-4-6-15(7-5-13)19-12-14-2-1-3-17(10-14)21(23)24/h1-7,10,16,19H,8-9,11-12H2,(H,20,22).
What are the key properties of N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide?
N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 46158649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).