N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide

C16H24ClN3O — CID 61440840

IUPACN-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
SMILESCCCCN(C1CC1)C(C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H24ClN3O/c1-3-4-9-20(13-6-7-13)11(2)16(21)19-12-5-8-14(17)15(18)10-12/h5,8,10-11,13H,3-4,6-7,9,18H2,1-2H3,(H,19,21)
InChIKeyMLUAAGXTELACHR-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.51
Rot. Bonds7

About N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide

N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide (PubChem CID 61440840) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
PubChem CID61440840
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
SMILESCCCCN(C1CC1)C(C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H24ClN3O/c1-3-4-9-20(13-6-7-13)11(2)16(21)19-12-5-8-14(17)15(18)10-12/h5,8,10-11,13H,3-4,6-7,9,18H2,1-2H3,(H,19,21)
InChIKeyMLUAAGXTELACHR-UHFFFAOYSA-N
XLogP3.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.51
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

2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide
CID 61441386
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879345
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-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide
CID 43270105
N-(3-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373800
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263787
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263776
N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
CID 78973756
N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide
CID 43270011
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide (CID 61440840) is N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide is CCCCN(C1CC1)C(C)C(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide?
The InChIKey is MLUAAGXTELACHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-4-9-20(13-6-7-13)11(2)16(21)19-12-5-8-14(17)15(18)10-12/h5,8,10-11,13H,3-4,6-7,9,18H2,1-2H3,(H,19,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide?
N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide has a molecular weight of 309.84 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide is sourced from PubChem (CID 61440840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).