N-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide

C17H20N2O3 — CID 3652603

IUPACN-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)Cc2ccccc2)c[nH]1
InChIInChI=1S/C17H20N2O3/c1-22-9-5-8-18-17(21)15-11-14(12-19-15)16(20)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,19H,5,8-10H2,1H3,(H,18,21)
InChIKeyFXEJVDXPOLLLPD-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.21
Rot. Bonds8

About N-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide

N-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide (PubChem CID 3652603) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
PubChem CID3652603
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)Cc2ccccc2)c[nH]1
InChIInChI=1S/C17H20N2O3/c1-22-9-5-8-18-17(21)15-11-14(12-19-15)16(20)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,19H,5,8-10H2,1H3,(H,18,21)
InChIKeyFXEJVDXPOLLLPD-UHFFFAOYSA-N
XLogP2.21
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide (CID 3652603) is N-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide is COCCCNC(=O)c1cc(C(=O)Cc2ccccc2)c[nH]1.
What is the InChIKey of N-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide?
The InChIKey is FXEJVDXPOLLLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-22-9-5-8-18-17(21)15-11-14(12-19-15)16(20)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,19H,5,8-10H2,1H3,(H,18,21).
What are the key properties of N-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide?
N-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3652603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).