2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide

C30H38N6O4 — CID 59975740

IUPAC2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(CC(=O)N2CCC(c3ccccc3)CC2)cn1
InChIInChI=1S/C30H38N6O4/c1-30(2,31)29(39)33-25(20-40-19-22-9-5-3-6-10-22)28(38)34-26-17-35(21-32-26)18-27(37)36-15-13-24(14-16-36)23-11-7-4-8-12-23/h3-12,17,21,24-25H,13-16,18-20,31H2,1-2H3,(H,33,39)(H,34,38)/t25-/m1/s1
InChIKeyIUIKNGQYDZLWQD-RUZDIDTESA-N
MW546.67 g/mol
LogP2.67
Rot. Bonds11

About 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide

2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide (PubChem CID 59975740) has the molecular formula C30H38N6O4 and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
PubChem CID59975740
Molecular FormulaC30H38N6O4
Molecular Weight546.67 g/mol
Exact Mass546.30
IUPAC Name2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(CC(=O)N2CCC(c3ccccc3)CC2)cn1
InChIInChI=1S/C30H38N6O4/c1-30(2,31)29(39)33-25(20-40-19-22-9-5-3-6-10-22)28(38)34-26-17-35(21-32-26)18-27(37)36-15-13-24(14-16-36)23-11-7-4-8-12-23/h3-12,17,21,24-25H,13-16,18-20,31H2,1-2H3,(H,33,39)(H,34,38)/t25-/m1/s1
InChIKeyIUIKNGQYDZLWQD-RUZDIDTESA-N
XLogP2.67
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.67
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide (CID 59975740) is 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(CC(=O)N2CCC(c3ccccc3)CC2)cn1.
What is the InChIKey of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide?
The InChIKey is IUIKNGQYDZLWQD-RUZDIDTESA-N. The full InChI is InChI=1S/C30H38N6O4/c1-30(2,31)29(39)33-25(20-40-19-22-9-5-3-6-10-22)28(38)34-26-17-35(21-32-26)18-27(37)36-15-13-24(14-16-36)23-11-7-4-8-12-23/h3-12,17,21,24-25H,13-16,18-20,31H2,1-2H3,(H,33,39)(H,34,38)/t25-/m1/s1.
What are the key properties of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide?
2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide has a molecular weight of 546.67 g/mol, XLogP of 2.67, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide is sourced from PubChem (CID 59975740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).