N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide

C18H25N3O2 — CID 94814571

IUPACN-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide
SMILESCC[C@H](NC(=O)CCOC(C)C)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H25N3O2/c1-4-15(20-17(22)10-11-23-13(2)3)18-19-12-16(21-18)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyNFWLFWLSBUPBCD-HNNXBMFYSA-N
MW315.42 g/mol
LogP3.46
Rot. Bonds8

About N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide

N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide (PubChem CID 94814571) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide
PubChem CID94814571
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide
SMILESCC[C@H](NC(=O)CCOC(C)C)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H25N3O2/c1-4-15(20-17(22)10-11-23-13(2)3)18-19-12-16(21-18)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyNFWLFWLSBUPBCD-HNNXBMFYSA-N
XLogP3.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide 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 N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide (CID 94814571) is N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide is CC[C@H](NC(=O)CCOC(C)C)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide?
The InChIKey is NFWLFWLSBUPBCD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-15(20-17(22)10-11-23-13(2)3)18-19-12-16(21-18)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide?
N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide has a molecular weight of 315.42 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 94814571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).