1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one

C17H25N3O2 — CID 97334486

IUPAC1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one
SMILESCc1ccccc1[C@H](NCC(=O)N1CCNC1=O)C(C)(C)C
InChIInChI=1S/C17H25N3O2/c1-12-7-5-6-8-13(12)15(17(2,3)4)19-11-14(21)20-10-9-18-16(20)22/h5-8,15,19H,9-11H2,1-4H3,(H,18,22)/t15-/m0/s1
InChIKeyRXVPCNLDMLTRIY-HNNXBMFYSA-N
MW303.41 g/mol
LogP2.22
Rot. Bonds4

About 1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one

1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one (PubChem CID 97334486) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one
PubChem CID97334486
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one
SMILESCc1ccccc1[C@H](NCC(=O)N1CCNC1=O)C(C)(C)C
InChIInChI=1S/C17H25N3O2/c1-12-7-5-6-8-13(12)15(17(2,3)4)19-11-14(21)20-10-9-18-16(20)22/h5-8,15,19H,9-11H2,1-4H3,(H,18,22)/t15-/m0/s1
InChIKeyRXVPCNLDMLTRIY-HNNXBMFYSA-N
XLogP2.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one (CID 97334486) is 1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one is Cc1ccccc1[C@H](NCC(=O)N1CCNC1=O)C(C)(C)C.
What is the InChIKey of 1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one?
The InChIKey is RXVPCNLDMLTRIY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-7-5-6-8-13(12)15(17(2,3)4)19-11-14(21)20-10-9-18-16(20)22/h5-8,15,19H,9-11H2,1-4H3,(H,18,22)/t15-/m0/s1.
What are the key properties of 1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one?
1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one has a molecular weight of 303.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R)-2,2-dimethyl-1-(2-methylphenyl)propyl]amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 97334486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).