N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide

C26H31N3O2 — CID 1060482

IUPACN-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
SMILESCn1cccc1CN(CCCN1CCOCC1)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H31N3O2/c1-27-14-5-9-25(27)21-29(16-6-15-28-17-19-31-20-18-28)26(30)24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-5,7-14H,6,15-21H2,1H3
InChIKeyLJDVGGUAEYSXIE-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.06
Rot. Bonds8

About N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide

N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide (PubChem CID 1060482) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
PubChem CID1060482
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
SMILESCn1cccc1CN(CCCN1CCOCC1)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H31N3O2/c1-27-14-5-9-25(27)21-29(16-6-15-28-17-19-31-20-18-28)26(30)24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-5,7-14H,6,15-21H2,1H3
InChIKeyLJDVGGUAEYSXIE-UHFFFAOYSA-N
XLogP4.06
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide 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-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 42705113
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-phenylbenzamide
CID 3999522
4-bromo-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42760015
4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 10250791
N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 4317444
1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea
CID 42707836
4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42705023
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4098227
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4118969
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide;hydrochloride
CID 44934172

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide (CID 1060482) is N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide is Cn1cccc1CN(CCCN1CCOCC1)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide?
The InChIKey is LJDVGGUAEYSXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-27-14-5-9-25(27)21-29(16-6-15-28-17-19-31-20-18-28)26(30)24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-5,7-14H,6,15-21H2,1H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide?
N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide has a molecular weight of 417.55 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide is sourced from PubChem (CID 1060482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).