N-(4-amino-2-cyanophenyl)-2-propoxyacetamide

C12H15N3O2 — CID 107937420

IUPACN-(4-amino-2-cyanophenyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(N)cc1C#N
InChIInChI=1S/C12H15N3O2/c1-2-5-17-8-12(16)15-11-4-3-10(14)6-9(11)7-13/h3-4,6H,2,5,8,14H2,1H3,(H,15,16)
InChIKeyAQFMSYVLDOENMJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.51
Rot. Bonds5

About N-(4-amino-2-cyanophenyl)-2-propoxyacetamide

N-(4-amino-2-cyanophenyl)-2-propoxyacetamide (PubChem CID 107937420) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-2-propoxyacetamide
PubChem CID107937420
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(4-amino-2-cyanophenyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(N)cc1C#N
InChIInChI=1S/C12H15N3O2/c1-2-5-17-8-12(16)15-11-4-3-10(14)6-9(11)7-13/h3-4,6H,2,5,8,14H2,1H3,(H,15,16)
InChIKeyAQFMSYVLDOENMJ-UHFFFAOYSA-N
XLogP1.51
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-amino-2-cyanophenyl)-2-ethoxyacetamide
CID 43548887
N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide
CID 43548948
N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide
CID 82015415
2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate
CID 43551360
N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide
CID 43376800
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940393
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940414
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
N-(5-amino-2-methoxyphenyl)-2-pentoxyacetamide
CID 43275007
N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103816393
N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-2-propoxyacetamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-2-propoxyacetamide (CID 107937420) is N-(4-amino-2-cyanophenyl)-2-propoxyacetamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-2-propoxyacetamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-2-propoxyacetamide is CCCOCC(=O)Nc1ccc(N)cc1C#N.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-2-propoxyacetamide?
The InChIKey is AQFMSYVLDOENMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-5-17-8-12(16)15-11-4-3-10(14)6-9(11)7-13/h3-4,6H,2,5,8,14H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-2-cyanophenyl)-2-propoxyacetamide?
N-(4-amino-2-cyanophenyl)-2-propoxyacetamide has a molecular weight of 233.27 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-2-propoxyacetamide is sourced from PubChem (CID 107937420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).