N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide

C15H22ClN3O2 — CID 82733743

IUPACN-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide
SMILESCC1OCCC1N(C)C(C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H22ClN3O2/c1-9(19(3)14-6-7-21-10(14)2)15(20)18-11-4-5-12(16)13(17)8-11/h4-5,8-10,14H,6-7,17H2,1-3H3,(H,18,20)
InChIKeyHVQHERABDCIYBK-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.36
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide

N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide (PubChem CID 82733743) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide
PubChem CID82733743
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide
SMILESCC1OCCC1N(C)C(C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H22ClN3O2/c1-9(19(3)14-6-7-21-10(14)2)15(20)18-11-4-5-12(16)13(17)8-11/h4-5,8-10,14H,6-7,17H2,1-3H3,(H,18,20)
InChIKeyHVQHERABDCIYBK-UHFFFAOYSA-N
XLogP2.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.36
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

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CID 43262968
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N-(3-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373800
N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide
CID 16779007
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
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N-(3-amino-4-chlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide
CID 107748298
N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
CID 61440840
N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295357
N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985453
N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779003
N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide
CID 82224817
N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115985399

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide (CID 82733743) is N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide is CC1OCCC1N(C)C(C)C(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide?
The InChIKey is HVQHERABDCIYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-9(19(3)14-6-7-21-10(14)2)15(20)18-11-4-5-12(16)13(17)8-11/h4-5,8-10,14H,6-7,17H2,1-3H3,(H,18,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide?
N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide has a molecular weight of 311.81 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide is sourced from PubChem (CID 82733743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).