N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide

C28H31N3O2 — CID 4647962

IUPACN-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCCCCNC(=O)CC(c1ccccc1C)c1cnc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C28H31N3O2/c1-3-4-16-29-27(32)18-24(23-14-9-8-11-21(23)2)25-19-30-28-26(15-10-17-31(25)28)33-20-22-12-6-5-7-13-22/h5-15,17,19,24H,3-4,16,18,20H2,1-2H3,(H,29,32)
InChIKeyCMSKHUWUUYBJSU-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.66
Rot. Bonds10

About N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide

N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 4647962) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
PubChem CID4647962
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCCCCNC(=O)CC(c1ccccc1C)c1cnc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C28H31N3O2/c1-3-4-16-29-27(32)18-24(23-14-9-8-11-21(23)2)25-19-30-28-26(15-10-17-31(25)28)33-20-22-12-6-5-7-13-22/h5-15,17,19,24H,3-4,16,18,20H2,1-2H3,(H,29,32)
InChIKeyCMSKHUWUUYBJSU-UHFFFAOYSA-N
XLogP5.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4156495
N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4524635
N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42784079
3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3665519
N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 46126228
3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3570484
N-butyl-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3644707
(3S)-N-butyl-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 7332062
N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5149763
3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 42783552
3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5216373
N-cyclohexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide
CID 4147346

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The IUPAC name of N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (CID 4647962) is N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.
What is the SMILES notation for N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The canonical SMILES for N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is CCCCNC(=O)CC(c1ccccc1C)c1cnc2c(OCc3ccccc3)cccn12.
What is the InChIKey of N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The InChIKey is CMSKHUWUUYBJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-3-4-16-29-27(32)18-24(23-14-9-8-11-21(23)2)25-19-30-28-26(15-10-17-31(25)28)33-20-22-12-6-5-7-13-22/h5-15,17,19,24H,3-4,16,18,20H2,1-2H3,(H,29,32).
What are the key properties of N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 441.58 g/mol, XLogP of 5.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 4647962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).