N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide

C16H25N3O — CID 18395354

IUPACN-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
SMILESC[C@H](CN(C(=O)C1CC1)c1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C16H25N3O/c1-12(13-5-3-2-4-6-13)10-19(15-9-17-11-18-15)16(20)14-7-8-14/h9,11-14H,2-8,10H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyZIYUWTHIHUZPQF-GFCCVEGCSA-N
MW275.40 g/mol
LogP3.37
Rot. Bonds5

About N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide

N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide (PubChem CID 18395354) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
PubChem CID18395354
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
SMILESC[C@H](CN(C(=O)C1CC1)c1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C16H25N3O/c1-12(13-5-3-2-4-6-13)10-19(15-9-17-11-18-15)16(20)14-7-8-14/h9,11-14H,2-8,10H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyZIYUWTHIHUZPQF-GFCCVEGCSA-N
XLogP3.37
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide (CID 18395354) is N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide is C[C@H](CN(C(=O)C1CC1)c1cnc[nH]1)C1CCCCC1.
What is the InChIKey of N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide?
The InChIKey is ZIYUWTHIHUZPQF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(13-5-3-2-4-6-13)10-19(15-9-17-11-18-15)16(20)14-7-8-14/h9,11-14H,2-8,10H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide?
N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 18395354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).