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

C27H32N4O3 — CID 46144318

IUPACN-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)CC(C)C)C2CC2)c1
InChIInChI=1S/C27H32N4O3/c1-4-34-23-12-8-11-22(16-23)31-17-24(20-9-6-5-7-10-20)28-27(31)29-25(32)18-30(21-13-14-21)26(33)15-19(2)3/h5-12,16-17,19,21H,4,13-15,18H2,1-3H3,(H,28,29,32)
InChIKeyXSMRYAODSPEDNT-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.91
Rot. Bonds10

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

N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 46144318) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID46144318
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC NameN-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
SMILESCCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)CC(C)C)C2CC2)c1
InChIInChI=1S/C27H32N4O3/c1-4-34-23-12-8-11-22(16-23)31-17-24(20-9-6-5-7-10-20)28-27(31)29-25(32)18-30(21-13-14-21)26(33)15-19(2)3/h5-12,16-17,19,21H,4,13-15,18H2,1-3H3,(H,28,29,32)
InChIKeyXSMRYAODSPEDNT-UHFFFAOYSA-N
XLogP4.91
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46144332
N-(cyclopropylmethyl)-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42826066
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 46145158
N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide
CID 70312590
2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]acetamide
CID 93149410
N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 42825400
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-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93151026
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-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide
CID 46145157
2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46144328
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide
CID 42827317

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide (CID 46144318) is N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide is CCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)CC(C)C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is XSMRYAODSPEDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-4-34-23-12-8-11-22(16-23)31-17-24(20-9-6-5-7-10-20)28-27(31)29-25(32)18-30(21-13-14-21)26(33)15-19(2)3/h5-12,16-17,19,21H,4,13-15,18H2,1-3H3,(H,28,29,32).
What are the key properties of N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide?
N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 460.58 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 46144318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).