2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide

C16H21N3O2 — CID 81071300

IUPAC2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide
SMILESCOCCCC(N)C(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C16H21N3O2/c1-21-11-5-8-15(17)16(20)18-13-6-4-7-14(12-13)19-9-2-3-10-19/h2-4,6-7,9-10,12,15H,5,8,11,17H2,1H3,(H,18,20)
InChIKeyJTJKOGJWJAJDQM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.17
Rot. Bonds7

About 2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide

2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide (PubChem CID 81071300) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide
PubChem CID81071300
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide
SMILESCOCCCC(N)C(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C16H21N3O2/c1-21-11-5-8-15(17)16(20)18-13-6-4-7-14(12-13)19-9-2-3-10-19/h2-4,6-7,9-10,12,15H,5,8,11,17H2,1H3,(H,18,20)
InChIKeyJTJKOGJWJAJDQM-UHFFFAOYSA-N
XLogP2.17
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
CID 81082999
2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide
CID 81082319
(2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide
CID 95287186
2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 81071451
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide
CID 81083217
2-amino-N-(3-imidazol-1-ylphenyl)hexanamide
CID 60853484
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
2-amino-N-[4-(dimethylamino)phenyl]-5-methoxypentanamide
CID 81082598
5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide
CID 82852468
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
CID 81083660
2-amino-4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 62475194

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide (CID 81071300) is 2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide is COCCCC(N)C(=O)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of 2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide?
The InChIKey is JTJKOGJWJAJDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-11-5-8-15(17)16(20)18-13-6-4-7-14(12-13)19-9-2-3-10-19/h2-4,6-7,9-10,12,15H,5,8,11,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide?
2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide has a molecular weight of 287.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide is sourced from PubChem (CID 81071300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).