N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide

C14H22ClN3O2 — CID 61443945

IUPACN-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide
SMILESCCN(CCOC)CCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C14H22ClN3O2/c1-3-18(8-9-20-2)7-6-14(19)17-13-5-4-11(16)10-12(13)15/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,19)
InChIKeyLYLCUCUDPGDMLK-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.22
Rot. Bonds8

About N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide

N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide (PubChem CID 61443945) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide
PubChem CID61443945
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide
SMILESCCN(CCOC)CCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C14H22ClN3O2/c1-3-18(8-9-20-2)7-6-14(19)17-13-5-4-11(16)10-12(13)15/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,19)
InChIKeyLYLCUCUDPGDMLK-UHFFFAOYSA-N
XLogP2.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide
CID 103101430
N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide
CID 108516132
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963
N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958
N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
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N-(4-aminophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61444637
N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
CID 63856685
N-(4-amino-2-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81035190
N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429181
N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61245206
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide (CID 61443945) is N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide is CCN(CCOC)CCC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide?
The InChIKey is LYLCUCUDPGDMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-3-18(8-9-20-2)7-6-14(19)17-13-5-4-11(16)10-12(13)15/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide?
N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide has a molecular weight of 299.80 g/mol, XLogP of 2.22, 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)-3-[ethyl(2-methoxyethyl)amino]propanamide is sourced from PubChem (CID 61443945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).