N-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide

C14H22ClN3O2 — CID 82224768

IUPACN-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide
SMILESCCC(C(=O)Nc1ccc(N)cc1Cl)N(CC)CCO
InChIInChI=1S/C14H22ClN3O2/c1-3-13(18(4-2)7-8-19)14(20)17-12-6-5-10(16)9-11(12)15/h5-6,9,13,19H,3-4,7-8,16H2,1-2H3,(H,17,20)
InChIKeyGZSLEBWEZRBMAU-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.95
Rot. Bonds7

About N-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide

N-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide (PubChem CID 82224768) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide
PubChem CID82224768
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide
SMILESCCC(C(=O)Nc1ccc(N)cc1Cl)N(CC)CCO
InChIInChI=1S/C14H22ClN3O2/c1-3-13(18(4-2)7-8-19)14(20)17-12-6-5-10(16)9-11(12)15/h5-6,9,13,19H,3-4,7-8,16H2,1-2H3,(H,17,20)
InChIKeyGZSLEBWEZRBMAU-UHFFFAOYSA-N
XLogP1.95
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.95
H-Bond Donors ≤ 53
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)-2-butan-2-yloxypropanamide
CID 54943567
N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
CID 43382322
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide
CID 66114719
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
1-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]butan-1-one
CID 82256526
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224762
N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61245206
N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686885
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963
N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429181
N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
CID 62015284

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide (CID 82224768) is N-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide is CCC(C(=O)Nc1ccc(N)cc1Cl)N(CC)CCO.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide?
The InChIKey is GZSLEBWEZRBMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-3-13(18(4-2)7-8-19)14(20)17-12-6-5-10(16)9-11(12)15/h5-6,9,13,19H,3-4,7-8,16H2,1-2H3,(H,17,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide?
N-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide has a molecular weight of 299.80 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]butanamide is sourced from PubChem (CID 82224768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).