N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt

C16H25CoN2O- — CID 155747938

IUPACN-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt
SMILESCCCC(CCC)C(=O)Nc1cccc(C[CH-]N)c1.[Co]
InChIInChI=1S/C16H25N2O.Co/c1-3-6-14(7-4-2)16(19)18-15-9-5-8-13(12-15)10-11-17;/h5,8-9,11-12,14H,3-4,6-7,10,17H2,1-2H3,(H,18,19);/q-1;
InChIKeyZOOIZHHJXSKRER-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.50
Rot. Bonds8

About N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt

N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt (PubChem CID 155747938) has the molecular formula C16H25CoN2O- and a molecular weight of 320.32 g/mol. Its IUPAC name is N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt.

Molecular Properties

Compound NameN-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt
PubChem CID155747938
Molecular FormulaC16H25CoN2O-
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC NameN-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt
SMILESCCCC(CCC)C(=O)Nc1cccc(C[CH-]N)c1.[Co]
InChIInChI=1S/C16H25N2O.Co/c1-3-6-14(7-4-2)16(19)18-15-9-5-8-13(12-15)10-11-17;/h5,8-9,11-12,14H,3-4,6-7,10,17H2,1-2H3,(H,18,19);/q-1;
InChIKeyZOOIZHHJXSKRER-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide
CID 17296409
methyl N-[3-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65229667
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
2-ethyl-N-(3-methylphenyl)pentanamide
CID 20659416
2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 65225216
N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide
CID 82984960
1-N,2-N,3-N-tris(3-butylphenyl)propane-1,2,3-tricarboxamide
CID 67992270
2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide
CID 65225091
[3-hydroxy-3-[3-(2-propylpentanoylamino)phenyl]propyl]carbamic acid
CID 67296701

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt?
The IUPAC name of N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt (CID 155747938) is N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt.
What is the SMILES notation for N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt?
The canonical SMILES for N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt is CCCC(CCC)C(=O)Nc1cccc(C[CH-]N)c1.[Co].
What is the InChIKey of N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt?
The InChIKey is ZOOIZHHJXSKRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N2O.Co/c1-3-6-14(7-4-2)16(19)18-15-9-5-8-13(12-15)10-11-17;/h5,8-9,11-12,14H,3-4,6-7,10,17H2,1-2H3,(H,18,19);/q-1;.
What are the key properties of N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt?
N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt has a molecular weight of 320.32 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethyl)phenyl]-2-propylpentanamide;cobalt is sourced from PubChem (CID 155747938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).