(2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide

C17H25N3O — CID 71260975

IUPAC(2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide
SMILESCCCNC(=O)[C@@H](CCCCn1cccc1)n1cccc1
InChIInChI=1S/C17H25N3O/c1-2-10-18-17(21)16(20-14-7-8-15-20)9-3-4-11-19-12-5-6-13-19/h5-8,12-16H,2-4,9-11H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyAPLYJUZQZMRADY-MRXNPFEDSA-N
MW287.41 g/mol
LogP3.23
Rot. Bonds9

About (2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide

(2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide (PubChem CID 71260975) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide.

Molecular Properties

Compound Name(2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide
PubChem CID71260975
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide
SMILESCCCNC(=O)[C@@H](CCCCn1cccc1)n1cccc1
InChIInChI=1S/C17H25N3O/c1-2-10-18-17(21)16(20-14-7-8-15-20)9-3-4-11-19-12-5-6-13-19/h5-8,12-16H,2-4,9-11H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyAPLYJUZQZMRADY-MRXNPFEDSA-N
XLogP3.23
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(2-pyrrol-1-ylethyl)urea
CID 103740925
2-pyrrol-1-ylhexanamide
CID 175737735
1-docosylpyrrole
CID 23344131
1-heptadecylpyrrole
CID 23344128
1-pentylpyrrole;propane
CID 174972146
1-(7-ethylheptadecyl)pyrrole
CID 175196584
methyl (2R)-2-pyrrol-1-ylpentanoate
CID 101386309
tert-butyl 2-pyrrol-1-ylheptanoate
CID 174581045
ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate
CID 90500544
N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide
CID 109479015
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide
CID 106391137

Frequently Asked Questions

What is the IUPAC name of (2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide?
The IUPAC name of (2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide (CID 71260975) is (2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide.
What is the SMILES notation for (2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide?
The canonical SMILES for (2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide is CCCNC(=O)[C@@H](CCCCn1cccc1)n1cccc1.
What is the InChIKey of (2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide?
The InChIKey is APLYJUZQZMRADY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-10-18-17(21)16(20-14-7-8-15-20)9-3-4-11-19-12-5-6-13-19/h5-8,12-16H,2-4,9-11H2,1H3,(H,18,21)/t16-/m1/s1.
What are the key properties of (2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide?
(2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide has a molecular weight of 287.41 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide is sourced from PubChem (CID 71260975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).