N-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide

C11H17N3O2 — CID 63294444

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)NCC(O)C1CC1
InChIInChI=1S/C11H17N3O2/c15-10(9-1-2-9)7-13-11(16)3-5-14-6-4-12-8-14/h4,6,8-10,15H,1-3,5,7H2,(H,13,16)
InChIKeyQTSXRKFSJYJCNF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.16
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide

N-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide (PubChem CID 63294444) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide
PubChem CID63294444
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)NCC(O)C1CC1
InChIInChI=1S/C11H17N3O2/c15-10(9-1-2-9)7-13-11(16)3-5-14-6-4-12-8-14/h4,6,8-10,15H,1-3,5,7H2,(H,13,16)
InChIKeyQTSXRKFSJYJCNF-UHFFFAOYSA-N
XLogP0.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide (CID 63294444) is N-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide?
The InChIKey is QTSXRKFSJYJCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10(9-1-2-9)7-13-11(16)3-5-14-6-4-12-8-14/h4,6,8-10,15H,1-3,5,7H2,(H,13,16).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide?
N-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide has a molecular weight of 223.28 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 63294444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).