3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide

C18H29N3O3 — CID 95353749

IUPAC3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN(C[C@H](O)c1ccccc1)CC(C)(C)C
InChIInChI=1S/C18H29N3O3/c1-18(2,3)13-21(11-10-16(23)20-17(24)19-4)12-15(22)14-8-6-5-7-9-14/h5-9,15,22H,10-13H2,1-4H3,(H2,19,20,23,24)/t15-/m0/s1
InChIKeyVWCKISJFSADDFA-HNNXBMFYSA-N
MW335.45 g/mol
LogP1.91
Rot. Bonds7

About 3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide

3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide (PubChem CID 95353749) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide
PubChem CID95353749
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN(C[C@H](O)c1ccccc1)CC(C)(C)C
InChIInChI=1S/C18H29N3O3/c1-18(2,3)13-21(11-10-16(23)20-17(24)19-4)12-15(22)14-8-6-5-7-9-14/h5-9,15,22H,10-13H2,1-4H3,(H2,19,20,23,24)/t15-/m0/s1
InChIKeyVWCKISJFSADDFA-HNNXBMFYSA-N
XLogP1.91
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide (CID 95353749) is 3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN(C[C@H](O)c1ccccc1)CC(C)(C)C.
What is the InChIKey of 3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is VWCKISJFSADDFA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-18(2,3)13-21(11-10-16(23)20-17(24)19-4)12-15(22)14-8-6-5-7-9-14/h5-9,15,22H,10-13H2,1-4H3,(H2,19,20,23,24)/t15-/m0/s1.
What are the key properties of 3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide?
3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 335.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 95353749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).