N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide

C14H22ClN3O — CID 16790772

IUPACN-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
SMILESCC(C)N(C)CCCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H22ClN3O/c1-10(2)18(3)8-4-5-14(19)17-13-9-11(15)6-7-12(13)16/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,19)
InChIKeySPVXTQDANGYLIY-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.98
Rot. Bonds6

About N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide

N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide (PubChem CID 16790772) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
PubChem CID16790772
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
SMILESCC(C)N(C)CCCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H22ClN3O/c1-10(2)18(3)8-4-5-14(19)17-13-9-11(15)6-7-12(13)16/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,19)
InChIKeySPVXTQDANGYLIY-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450431
N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81036999
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
N-(2-amino-5-chlorophenyl)-4-[bis(cyanomethyl)amino]butanamide
CID 29032604
N-(2-amino-5-chlorophenyl)-4-[methyl(thiolan-3-yl)amino]butanamide
CID 43296286
N-(2-amino-5-chlorophenyl)-3-propan-2-ylsulfinylpropanamide
CID 61287045
N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
CID 43444676
N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884054
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295387

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide (CID 16790772) is N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide is CC(C)N(C)CCCC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide?
The InChIKey is SPVXTQDANGYLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)18(3)8-4-5-14(19)17-13-9-11(15)6-7-12(13)16/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide?
N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide has a molecular weight of 283.80 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide is sourced from PubChem (CID 16790772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).