N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide

C15H24ClN3O2 — CID 81036999

IUPACN-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
SMILESCC(C)OCCN(C)CCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C15H24ClN3O2/c1-11(2)21-9-8-19(3)7-6-15(20)18-14-10-12(16)4-5-13(14)17/h4-5,10-11H,6-9,17H2,1-3H3,(H,18,20)
InChIKeyGVUVSLWPPVRAJQ-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.61
Rot. Bonds8

About N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide

N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide (PubChem CID 81036999) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
PubChem CID81036999
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
SMILESCC(C)OCCN(C)CCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C15H24ClN3O2/c1-11(2)21-9-8-19(3)7-6-15(20)18-14-10-12(16)4-5-13(14)17/h4-5,10-11H,6-9,17H2,1-3H3,(H,18,20)
InChIKeyGVUVSLWPPVRAJQ-UHFFFAOYSA-N
XLogP2.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.61
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-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
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N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
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N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
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N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-amino-5-chlorophenyl)-3-propan-2-ylsulfinylpropanamide
CID 61287045
N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide (CID 81036999) is N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide is CC(C)OCCN(C)CCC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
The InChIKey is GVUVSLWPPVRAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-11(2)21-9-8-19(3)7-6-15(20)18-14-10-12(16)4-5-13(14)17/h4-5,10-11H,6-9,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide has a molecular weight of 313.83 g/mol, XLogP of 2.61, 8 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-[methyl(2-propan-2-yloxyethyl)amino]propanamide is sourced from PubChem (CID 81036999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).