N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide

C12H20N2O3 — CID 109408533

IUPACN-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide
SMILESCOCC(O)CNC(=O)CCCn1cccc1
InChIInChI=1S/C12H20N2O3/c1-17-10-11(15)9-13-12(16)5-4-8-14-6-2-3-7-14/h2-3,6-7,11,15H,4-5,8-10H2,1H3,(H,13,16)
InChIKeyPMLMQVQLBANYSO-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.39
Rot. Bonds8

About N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide

N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide (PubChem CID 109408533) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide
PubChem CID109408533
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide
SMILESCOCC(O)CNC(=O)CCCn1cccc1
InChIInChI=1S/C12H20N2O3/c1-17-10-11(15)9-13-12(16)5-4-8-14-6-2-3-7-14/h2-3,6-7,11,15H,4-5,8-10H2,1H3,(H,13,16)
InChIKeyPMLMQVQLBANYSO-UHFFFAOYSA-N
XLogP0.39
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-4-pyrrol-1-ylbutanamide
CID 109409829
N-(2-hydroxy-3-methoxypropyl)butanamide
CID 20700886
N-(2-methoxyethyl)-3-pyrrol-1-ylpropanamide
CID 110688667
N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide
CID 115283363
N-(2-hydroxy-3-methoxypropyl)-2-propan-2-yloxyacetamide
CID 112703011
N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide
CID 111447010
N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide
CID 122140386
2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide
CID 103716164
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide
CID 109479015
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 97237905

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide (CID 109408533) is N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide is COCC(O)CNC(=O)CCCn1cccc1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide?
The InChIKey is PMLMQVQLBANYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-10-11(15)9-13-12(16)5-4-8-14-6-2-3-7-14/h2-3,6-7,11,15H,4-5,8-10H2,1H3,(H,13,16).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide?
N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide has a molecular weight of 240.30 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 109408533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).