N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide

C28H34N4O3 — CID 46144332

IUPACN-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)CC(C)C)c1
InChIInChI=1S/C28H34N4O3/c1-4-35-24-12-8-11-23(16-24)32-18-25(22-9-6-5-7-10-22)29-28(32)30-26(33)19-31(17-21-13-14-21)27(34)15-20(2)3/h5-12,16,18,20-21H,4,13-15,17,19H2,1-3H3,(H,29,30,33)
InChIKeyBORDOEZWKSUYEF-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.16
Rot. Bonds11

About N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide

N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 46144332) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID46144332
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC NameN-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)CC(C)C)c1
InChIInChI=1S/C28H34N4O3/c1-4-35-24-12-8-11-23(16-24)32-18-25(22-9-6-5-7-10-22)29-28(32)30-26(33)19-31(17-21-13-14-21)27(34)15-20(2)3/h5-12,16,18,20-21H,4,13-15,17,19H2,1-3H3,(H,29,30,33)
InChIKeyBORDOEZWKSUYEF-UHFFFAOYSA-N
XLogP5.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46144318
N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42826066
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93151026
2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide
CID 93149410
N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98440218
N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98440219
2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46144328
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 46145071
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-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42827233
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
CID 42830543
N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 42825400

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide (CID 46144332) is N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide is CCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)CC(C)C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is BORDOEZWKSUYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-4-35-24-12-8-11-23(16-24)32-18-25(22-9-6-5-7-10-22)29-28(32)30-26(33)19-31(17-21-13-14-21)27(34)15-20(2)3/h5-12,16,18,20-21H,4,13-15,17,19H2,1-3H3,(H,29,30,33).
What are the key properties of N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 474.61 g/mol, XLogP of 5.16, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 46144332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).