N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide

C14H22ClN3O2 — CID 61450431

IUPACN-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
SMILESCOCC(C)N(C)CCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H22ClN3O2/c1-10(9-20-3)18(2)7-6-14(19)17-13-8-11(15)4-5-12(13)16/h4-5,8,10H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyQVQDSXNWJMJNDJ-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.22
Rot. Bonds7

About N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide

N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide (PubChem CID 61450431) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
PubChem CID61450431
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
SMILESCOCC(C)N(C)CCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H22ClN3O2/c1-10(9-20-3)18(2)7-6-14(19)17-13-8-11(15)4-5-12(13)16/h4-5,8,10H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyQVQDSXNWJMJNDJ-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': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790772
N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81036999
N-(3-amino-4-fluorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450388
N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide
CID 43571687
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide
CID 54948690
N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884054
N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438
N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401181
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide (CID 61450431) is N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide is COCC(C)N(C)CCC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide?
The InChIKey is QVQDSXNWJMJNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-10(9-20-3)18(2)7-6-14(19)17-13-8-11(15)4-5-12(13)16/h4-5,8,10H,6-7,9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide?
N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(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-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide is sourced from PubChem (CID 61450431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).