(2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide

C14H16N2O2 — CID 95287186

IUPAC(2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide
SMILESCO[C@@H](C)C(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C14H16N2O2/c1-11(18-2)14(17)15-12-6-5-7-13(10-12)16-8-3-4-9-16/h3-11H,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyPZHQAJBZYMSLEE-NSHDSACASA-N
MW244.29 g/mol
LogP2.45
Rot. Bonds4

About (2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide

(2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide (PubChem CID 95287186) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide
PubChem CID95287186
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide
SMILESCO[C@@H](C)C(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C14H16N2O2/c1-11(18-2)14(17)15-12-6-5-7-13(10-12)16-8-3-4-9-16/h3-11H,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyPZHQAJBZYMSLEE-NSHDSACASA-N
XLogP2.45
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide
CID 81071300
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide
CID 61248263
N-propan-2-yl-3-pyrrol-1-ylaniline
CID 43733059
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide
CID 82852468
2-bromo-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide
CID 107903702
N-(4-methoxyphenyl)-2-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]sulfanylacetamide
CID 55979719
2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide
CID 81083217
1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R)-2-hydroxypropyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 100659373

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide?
The IUPAC name of (2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide (CID 95287186) is (2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide is CO[C@@H](C)C(=O)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of (2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide?
The InChIKey is PZHQAJBZYMSLEE-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11(18-2)14(17)15-12-6-5-7-13(10-12)16-8-3-4-9-16/h3-11H,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide?
(2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide has a molecular weight of 244.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide is sourced from PubChem (CID 95287186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).