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

C30H38N4O3 — CID 93151283

IUPAC3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]butanamide
SMILESCC(C)CC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C[C@H]1CCCO1
InChIInChI=1S/C30H38N4O3/c1-21(2)17-29(36)33(18-26-11-8-16-37-26)20-28(35)32-30-31-27(24-9-6-5-7-10-24)19-34(30)25-14-12-23(13-15-25)22(3)4/h5-7,9-10,12-15,19,21-22,26H,8,11,16-18,20H2,1-4H3,(H,31,32,35)/t26-/m1/s1
InChIKeyLGPHEJWFWCUAJB-AREMUKBSSA-N
MW502.66 g/mol
LogP5.65
Rot. Bonds10

About 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

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 (PubChem CID 93151283) has the molecular formula C30H38N4O3 and a molecular weight of 502.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]butanamide
PubChem CID93151283
Molecular FormulaC30H38N4O3
Molecular Weight502.66 g/mol
Exact Mass502.29
IUPAC Name3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]butanamide
SMILESCC(C)CC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C[C@H]1CCCO1
InChIInChI=1S/C30H38N4O3/c1-21(2)17-29(36)33(18-26-11-8-16-37-26)20-28(35)32-30-31-27(24-9-6-5-7-10-24)19-34(30)25-14-12-23(13-15-25)22(3)4/h5-7,9-10,12-15,19,21-22,26H,8,11,16-18,20H2,1-4H3,(H,31,32,35)/t26-/m1/s1
InChIKeyLGPHEJWFWCUAJB-AREMUKBSSA-N
XLogP5.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 93151281
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93151653
N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93153009
4-chloro-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide
CID 42829750
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 98436182
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98437025
N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93151678
N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46144332
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C[C@H]1CCCO1.
What is the InChIKey of 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?
The InChIKey is LGPHEJWFWCUAJB-AREMUKBSSA-N. The full InChI is InChI=1S/C30H38N4O3/c1-21(2)17-29(36)33(18-26-11-8-16-37-26)20-28(35)32-30-31-27(24-9-6-5-7-10-24)19-34(30)25-14-12-23(13-15-25)22(3)4/h5-7,9-10,12-15,19,21-22,26H,8,11,16-18,20H2,1-4H3,(H,31,32,35)/t26-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 502.66 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 93151283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).