N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide

C15H23N3O — CID 43270011

IUPACN-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide
SMILESCCCN(C1CC1)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C15H23N3O/c1-3-10-18(12-8-9-12)11(2)15(19)17-14-7-5-4-6-13(14)16/h4-7,11-12H,3,8-10,16H2,1-2H3,(H,17,19)
InChIKeyQDOSYAVDKQQSNR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.47
Rot. Bonds6

About N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide

N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide (PubChem CID 43270011) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide
PubChem CID43270011
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide
SMILESCCCN(C1CC1)C(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C15H23N3O/c1-3-10-18(12-8-9-12)11(2)15(19)17-14-7-5-4-6-13(14)16/h4-7,11-12H,3,8-10,16H2,1-2H3,(H,17,19)
InChIKeyQDOSYAVDKQQSNR-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.47
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-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263776
N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide
CID 43270105
N-(2-aminophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568725
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide
CID 103101404
2-[2-aminoethyl(cyclopentyl)amino]-N-phenylpropanamide
CID 63761281
N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
CID 61440840
N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62546374
N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295395
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644
N-(2-aminophenyl)-2-butylsulfinylpropanamide
CID 61287849
N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
CID 78973756

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide?
The IUPAC name of N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide (CID 43270011) is N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide is CCCN(C1CC1)C(C)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide?
The InChIKey is QDOSYAVDKQQSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-10-18(12-8-9-12)11(2)15(19)17-14-7-5-4-6-13(14)16/h4-7,11-12H,3,8-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide?
N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide is sourced from PubChem (CID 43270011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).