N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide

C16H26ClN3O — CID 79481495

IUPACN-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(CC)C(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C16H26ClN3O/c1-5-11(3)10-20(6-2)12(4)16(21)19-15-9-13(17)7-8-14(15)18/h7-9,11-12H,5-6,10,18H2,1-4H3,(H,19,21)
InChIKeyPOJYBGOJEDTFQJ-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.62
Rot. Bonds7

About N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide

N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide (PubChem CID 79481495) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide
PubChem CID79481495
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(CC)C(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C16H26ClN3O/c1-5-11(3)10-20(6-2)12(4)16(21)19-15-9-13(17)7-8-14(15)18/h7-9,11-12H,5-6,10,18H2,1-4H3,(H,19,21)
InChIKeyPOJYBGOJEDTFQJ-UHFFFAOYSA-N
XLogP3.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.62
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-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263776
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63696100
N-(2-amino-4-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63955312
N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374477
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264543
N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295395
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea
CID 79152051

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide (CID 79481495) is N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide is CCC(C)CN(CC)C(C)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide?
The InChIKey is POJYBGOJEDTFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-5-11(3)10-20(6-2)12(4)16(21)19-15-9-13(17)7-8-14(15)18/h7-9,11-12H,5-6,10,18H2,1-4H3,(H,19,21).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide?
N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide has a molecular weight of 311.86 g/mol, XLogP of 3.62, 7 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)-2-[ethyl(2-methylbutyl)amino]propanamide is sourced from PubChem (CID 79481495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).