N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide

C25H30N2O2 — CID 5219910

IUPACN-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
SMILESCCCCN(Cc1cccn1Cc1cccc(OC)c1)C(=O)Cc1ccccc1
InChIInChI=1S/C25H30N2O2/c1-3-4-15-27(25(28)18-21-10-6-5-7-11-21)20-23-13-9-16-26(23)19-22-12-8-14-24(17-22)29-2/h5-14,16-17H,3-4,15,18-20H2,1-2H3
InChIKeyFSPNIHWFMLUNRG-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.92
Rot. Bonds10

About N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide

N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide (PubChem CID 5219910) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
PubChem CID5219910
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
SMILESCCCCN(Cc1cccn1Cc1cccc(OC)c1)C(=O)Cc1ccccc1
InChIInChI=1S/C25H30N2O2/c1-3-4-15-27(25(28)18-21-10-6-5-7-11-21)20-23-13-9-16-26(23)19-22-12-8-14-24(17-22)29-2/h5-14,16-17H,3-4,15,18-20H2,1-2H3
InChIKeyFSPNIHWFMLUNRG-UHFFFAOYSA-N
XLogP4.92
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]dodecanamide
CID 4221112
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-butylhexanamide
CID 3688758
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-butyldodecanamide
CID 42771285
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylacetamide
CID 42764328
N-benzyl-2-[butyl-(2-phenylmethoxyacetyl)amino]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 3638682
N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
CID 5030621
N-butyl-3-fluoro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42763013
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-4-butyl-N-pentylbenzamide
CID 42771293
N-butyl-3,4-dichloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3968837
3-cyclopentyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylpropanamide
CID 3270259
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 42664361
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-pentylcyclobutanecarboxamide
CID 42664397

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide (CID 5219910) is N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide is CCCCN(Cc1cccn1Cc1cccc(OC)c1)C(=O)Cc1ccccc1.
What is the InChIKey of N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide?
The InChIKey is FSPNIHWFMLUNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-3-4-15-27(25(28)18-21-10-6-5-7-11-21)20-23-13-9-16-26(23)19-22-12-8-14-24(17-22)29-2/h5-14,16-17H,3-4,15,18-20H2,1-2H3.
What are the key properties of N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide?
N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide has a molecular weight of 390.53 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 5219910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).