2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

C31H40N6O4 — CID 59103094

IUPAC2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C31H40N6O4/c1-31(2,32)30(40)34-26(21-41-20-25-11-7-4-8-12-25)29(39)35-27-18-36(22-33-27)19-28(38)37-15-13-24(14-16-37)17-23-9-5-3-6-10-23/h3-12,18,22,24,26H,13-17,19-21,32H2,1-2H3,(H,34,40)(H,35,39)/t26-/m1/s1
InChIKeyDCHMSWVUYVDUJD-AREMUKBSSA-N
MW560.70 g/mol
LogP2.74
Rot. Bonds12

About 2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (PubChem CID 59103094) has the molecular formula C31H40N6O4 and a molecular weight of 560.70 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
PubChem CID59103094
Molecular FormulaC31H40N6O4
Molecular Weight560.70 g/mol
Exact Mass560.31
IUPAC Name2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C31H40N6O4/c1-31(2,32)30(40)34-26(21-41-20-25-11-7-4-8-12-25)29(39)35-27-18-36(22-33-27)19-28(38)37-15-13-24(14-16-37)17-23-9-5-3-6-10-23/h3-12,18,22,24,26H,13-17,19-21,32H2,1-2H3,(H,34,40)(H,35,39)/t26-/m1/s1
InChIKeyDCHMSWVUYVDUJD-AREMUKBSSA-N
XLogP2.74
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.70
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (CID 59103094) is 2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The InChIKey is DCHMSWVUYVDUJD-AREMUKBSSA-N. The full InChI is InChI=1S/C31H40N6O4/c1-31(2,32)30(40)34-26(21-41-20-25-11-7-4-8-12-25)29(39)35-27-18-36(22-33-27)19-28(38)37-15-13-24(14-16-37)17-23-9-5-3-6-10-23/h3-12,18,22,24,26H,13-17,19-21,32H2,1-2H3,(H,34,40)(H,35,39)/t26-/m1/s1.
What are the key properties of 2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide has a molecular weight of 560.70 g/mol, XLogP of 2.74, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-1-[[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 59103094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).