N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide

C16H19N3O — CID 19593146

IUPACN-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCCc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C16H19N3O/c20-16(14-8-9-14)19(15-11-17-12-18-15)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,17,18)
InChIKeyVABPLONXEJBZOG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.79
Rot. Bonds6

About N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide

N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide (PubChem CID 19593146) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide
PubChem CID19593146
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCCc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C16H19N3O/c20-16(14-8-9-14)19(15-11-17-12-18-15)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,17,18)
InChIKeyVABPLONXEJBZOG-UHFFFAOYSA-N
XLogP2.79
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide?
The IUPAC name of N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide (CID 19593146) is N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide?
The canonical SMILES for N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide is O=C(C1CC1)N(CCCc1ccccc1)c1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide?
The InChIKey is VABPLONXEJBZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(14-8-9-14)19(15-11-17-12-18-15)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,17,18).
What are the key properties of N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide?
N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-yl)-N-(3-phenylpropyl)cyclopropanecarboxamide is sourced from PubChem (CID 19593146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).