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

C14H22ClN3O2 — CID 81053275

IUPACN-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
SMILESCCOCCN(C)C(C)C(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C14H22ClN3O2/c1-4-20-8-7-18(3)10(2)14(19)17-13-6-5-11(15)9-12(13)16/h5-6,9-10H,4,7-8,16H2,1-3H3,(H,17,19)
InChIKeyWQEGHKHDRADNII-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.22
Rot. Bonds7

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

N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide (PubChem CID 81053275) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
PubChem CID81053275
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
SMILESCCOCCN(C)C(C)C(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C14H22ClN3O2/c1-4-20-8-7-18(3)10(2)14(19)17-13-6-5-11(15)9-12(13)16/h5-6,9-10H,4,7-8,16H2,1-3H3,(H,17,19)
InChIKeyWQEGHKHDRADNII-UHFFFAOYSA-N
XLogP2.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.22
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(ethyl)amino]propanamide
CID 63696100
N-(2-amino-4-chlorophenyl)-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425953
N-(4-amino-2-methoxyphenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide
CID 81037444
N-(2-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373834
N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429181
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide
CID 43571687
N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide
CID 43266814
N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63955312
N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374477
N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960611

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide (CID 81053275) is N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide is CCOCCN(C)C(C)C(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide?
The InChIKey is WQEGHKHDRADNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-4-20-8-7-18(3)10(2)14(19)17-13-6-5-11(15)9-12(13)16/h5-6,9-10H,4,7-8,16H2,1-3H3,(H,17,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide?
N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(methyl)amino]propanamide has a molecular weight of 299.80 g/mol, XLogP of 2.22, 7 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(methyl)amino]propanamide is sourced from PubChem (CID 81053275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).