2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide

C29H37N5O4 — CID 93149410

IUPAC2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide
SMILESCCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@H]2CCCO2)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C29H37N5O4/c1-5-37-23-14-9-13-22(17-23)34-19-25(21-11-7-6-8-12-21)30-27(34)31-26(35)20-33(18-24-15-10-16-38-24)28(36)32-29(2,3)4/h6-9,11-14,17,19,24H,5,10,15-16,18,20H2,1-4H3,(H,32,36)(H,30,31,35)/t24-/m1/s1
InChIKeyXCOIZSFCONJRDR-XMMPIXPASA-N
MW519.65 g/mol
LogP4.87
Rot. Bonds9

About 2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide

2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide (PubChem CID 93149410) has the molecular formula C29H37N5O4 and a molecular weight of 519.65 g/mol. Its IUPAC name is 2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide
PubChem CID93149410
Molecular FormulaC29H37N5O4
Molecular Weight519.65 g/mol
Exact Mass519.28
IUPAC Name2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide
SMILESCCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@H]2CCCO2)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C29H37N5O4/c1-5-37-23-14-9-13-22(17-23)34-19-25(21-11-7-6-8-12-21)30-27(34)31-26(35)20-33(18-24-15-10-16-38-24)28(36)32-29(2,3)4/h6-9,11-14,17,19,24H,5,10,15-16,18,20H2,1-4H3,(H,32,36)(H,30,31,35)/t24-/m1/s1
InChIKeyXCOIZSFCONJRDR-XMMPIXPASA-N
XLogP4.87
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.65
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide 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-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98440219
N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98440218
2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46144328
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 93153743
N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93151678
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93151026
N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46144332
4-fluoro-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42827282
2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 93151288
N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46144318
N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98431956
N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42826066

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide?
The IUPAC name of 2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide (CID 93149410) is 2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide.
What is the SMILES notation for 2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide?
The canonical SMILES for 2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide is CCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@H]2CCCO2)C(=O)NC(C)(C)C)c1.
What is the InChIKey of 2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide?
The InChIKey is XCOIZSFCONJRDR-XMMPIXPASA-N. The full InChI is InChI=1S/C29H37N5O4/c1-5-37-23-14-9-13-22(17-23)34-19-25(21-11-7-6-8-12-21)30-27(34)31-26(35)20-33(18-24-15-10-16-38-24)28(36)32-29(2,3)4/h6-9,11-14,17,19,24H,5,10,15-16,18,20H2,1-4H3,(H,32,36)(H,30,31,35)/t24-/m1/s1.
What are the key properties of 2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide?
2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide has a molecular weight of 519.65 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide is sourced from PubChem (CID 93149410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).