N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide

C15H24ClN3O2 — CID 63696100

IUPACN-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
SMILESCCOCCN(CC)C(C)C(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C15H24ClN3O2/c1-4-19(8-9-21-5-2)11(3)15(20)18-14-7-6-12(16)10-13(14)17/h6-7,10-11H,4-5,8-9,17H2,1-3H3,(H,18,20)
InChIKeyITQODJZHBPGDNY-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.61
Rot. Bonds8

About N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide

N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide (PubChem CID 63696100) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
PubChem CID63696100
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
SMILESCCOCCN(CC)C(C)C(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C15H24ClN3O2/c1-4-19(8-9-21-5-2)11(3)15(20)18-14-7-6-12(16)10-13(14)17/h6-7,10-11H,4-5,8-9,17H2,1-3H3,(H,18,20)
InChIKeyITQODJZHBPGDNY-UHFFFAOYSA-N
XLogP2.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.61
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-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
CID 81053275
N-(2-amino-4-methoxyphenyl)-2-[ethyl(2-methoxyethyl)amino]propanamide
CID 61444389
N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63955312
N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63696461
N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
1-(2,4-dichlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propan-1-one
CID 63696693
N-(2-amino-4-chlorophenyl)-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425953
N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide
CID 79481495
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-(2-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373834
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
N-(4-amino-2-methoxyphenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
CID 81037444

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide (CID 63696100) is N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide is CCOCCN(CC)C(C)C(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide?
The InChIKey is ITQODJZHBPGDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-4-19(8-9-21-5-2)11(3)15(20)18-14-7-6-12(16)10-13(14)17/h6-7,10-11H,4-5,8-9,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide?
N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide has a molecular weight of 313.83 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide is sourced from PubChem (CID 63696100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).