N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide

C14H21ClN2O3 — CID 63686885

IUPACN-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide
SMILESCCCOCCOC(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-3-6-19-7-8-20-10(2)14(18)17-13-5-4-11(16)9-12(13)15/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18)
InChIKeyWSCOZONQTGZALI-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.69
Rot. Bonds8

About N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide

N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide (PubChem CID 63686885) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide
PubChem CID63686885
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide
SMILESCCCOCCOC(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-3-6-19-7-8-20-10(2)14(18)17-13-5-4-11(16)9-12(13)15/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18)
InChIKeyWSCOZONQTGZALI-UHFFFAOYSA-N
XLogP2.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.69
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-chlorophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127117
N-(4-amino-2-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide
CID 106447019
N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide
CID 54943567
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560223
N-(4-amino-2,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43093302
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide
CID 62382552
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072
N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
CID 43382322
N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127114

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide (CID 63686885) is N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide is CCCOCCOC(C)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide?
The InChIKey is WSCOZONQTGZALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-3-6-19-7-8-20-10(2)14(18)17-13-5-4-11(16)9-12(13)15/h4-5,9-10H,3,6-8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide?
N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide has a molecular weight of 300.79 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide is sourced from PubChem (CID 63686885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).