N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

C24H26N2O3 — CID 55394955

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)NCC3COc4ccccc4C3)c2C)cc1
InChIInChI=1S/C24H26N2O3/c1-16-12-22(17(2)26(16)20-8-10-21(28-3)11-9-20)24(27)25-14-18-13-19-6-4-5-7-23(19)29-15-18/h4-12,18H,13-15H2,1-3H3,(H,25,27)
InChIKeyKDFWZZXIFIUFCX-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.08
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55394955) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55394955
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)NCC3COc4ccccc4C3)c2C)cc1
InChIInChI=1S/C24H26N2O3/c1-16-12-22(17(2)26(16)20-8-10-21(28-3)11-9-20)24(27)25-14-18-13-19-6-4-5-7-23(19)29-15-18/h4-12,18H,13-15H2,1-3H3,(H,25,27)
InChIKeyKDFWZZXIFIUFCX-UHFFFAOYSA-N
XLogP4.08
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide 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-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 24559581
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 97123888
2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119171465
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 74234910
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55514058
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
CID 51212134
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55576308
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 97129298
N-[2-(4-methoxyphenoxy)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 6736808
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 97123602

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (CID 55394955) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is COc1ccc(-n2c(C)cc(C(=O)NCC3COc4ccccc4C3)c2C)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is KDFWZZXIFIUFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16-12-22(17(2)26(16)20-8-10-21(28-3)11-9-20)24(27)25-14-18-13-19-6-4-5-7-23(19)29-15-18/h4-12,18H,13-15H2,1-3H3,(H,25,27).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55394955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).