N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C28H34N4O5 — CID 93151653

IUPACN-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)C(C)C)cc1OC
InChIInChI=1S/C28H34N4O5/c1-19(2)27(34)31(16-22-11-8-14-37-22)18-26(33)30-28-29-23(20-9-6-5-7-10-20)17-32(28)21-12-13-24(35-3)25(15-21)36-4/h5-7,9-10,12-13,15,17,19,22H,8,11,14,16,18H2,1-4H3,(H,29,30,33)/t22-/m0/s1
InChIKeyVHUFRQOYLSNRAW-QFIPXVFZSA-N
MW506.60 g/mol
LogP4.16
Rot. Bonds10

About N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide

N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 93151653) has the molecular formula C28H34N4O5 and a molecular weight of 506.60 g/mol. Its IUPAC name is N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID93151653
Molecular FormulaC28H34N4O5
Molecular Weight506.60 g/mol
Exact Mass506.25
IUPAC NameN-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)C(C)C)cc1OC
InChIInChI=1S/C28H34N4O5/c1-19(2)27(34)31(16-22-11-8-14-37-22)18-26(33)30-28-29-23(20-9-6-5-7-10-20)17-32(28)21-12-13-24(35-3)25(15-21)36-4/h5-7,9-10,12-13,15,17,19,22H,8,11,14,16,18H2,1-4H3,(H,29,30,33)/t22-/m0/s1
InChIKeyVHUFRQOYLSNRAW-QFIPXVFZSA-N
XLogP4.16
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide 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-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 46145071
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98418671
4-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98418681
N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93153009
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 46145049
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98385589
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93151026
2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 93151288
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]butanamide
CID 93151283
N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93151678
2-methyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]benzamide
CID 42826865
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98438256

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 93151653) is N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide is COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)C(C)C)cc1OC.
What is the InChIKey of N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is VHUFRQOYLSNRAW-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H34N4O5/c1-19(2)27(34)31(16-22-11-8-14-37-22)18-26(33)30-28-29-23(20-9-6-5-7-10-20)17-32(28)21-12-13-24(35-3)25(15-21)36-4/h5-7,9-10,12-13,15,17,19,22H,8,11,14,16,18H2,1-4H3,(H,29,30,33)/t22-/m0/s1.
What are the key properties of N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 506.60 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 93151653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).