N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide

C14H17N3O — CID 5084113

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C14H17N3O/c18-14(7-6-12-4-2-1-3-5-12)16-9-8-13-10-15-11-17-13/h1-5,10-11H,6-9H2,(H,15,17)(H,16,18)
InChIKeyCQNCXBNWAGVORD-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.70
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide

N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide (PubChem CID 5084113) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
PubChem CID5084113
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C14H17N3O/c18-14(7-6-12-4-2-1-3-5-12)16-9-8-13-10-15-11-17-13/h1-5,10-11H,6-9H2,(H,15,17)(H,16,18)
InChIKeyCQNCXBNWAGVORD-UHFFFAOYSA-N
XLogP1.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide (CID 5084113) is N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide?
The InChIKey is CQNCXBNWAGVORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14(7-6-12-4-2-1-3-5-12)16-9-8-13-10-15-11-17-13/h1-5,10-11H,6-9H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide?
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 5084113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).