N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C17H25N5O3 — CID 97115371

IUPACN-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCn1cc(CN(C(=O)CC[C@H]2NC(=O)NC2=O)C2CCCCC2)cn1
InChIInChI=1S/C17H25N5O3/c1-21-10-12(9-18-21)11-22(13-5-3-2-4-6-13)15(23)8-7-14-16(24)20-17(25)19-14/h9-10,13-14H,2-8,11H2,1H3,(H2,19,20,24,25)/t14-/m1/s1
InChIKeyDEKFHDZCGQKGEW-CQSZACIVSA-N
MW347.42 g/mol
LogP1.07
Rot. Bonds6

About N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide

N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 97115371) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID97115371
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCn1cc(CN(C(=O)CC[C@H]2NC(=O)NC2=O)C2CCCCC2)cn1
InChIInChI=1S/C17H25N5O3/c1-21-10-12(9-18-21)11-22(13-5-3-2-4-6-13)15(23)8-7-14-16(24)20-17(25)19-14/h9-10,13-14H,2-8,11H2,1H3,(H2,19,20,24,25)/t14-/m1/s1
InChIKeyDEKFHDZCGQKGEW-CQSZACIVSA-N
XLogP1.07
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 97115371) is N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide is Cn1cc(CN(C(=O)CC[C@H]2NC(=O)NC2=O)C2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is DEKFHDZCGQKGEW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-21-10-12(9-18-21)11-22(13-5-3-2-4-6-13)15(23)8-7-14-16(24)20-17(25)19-14/h9-10,13-14H,2-8,11H2,1H3,(H2,19,20,24,25)/t14-/m1/s1.
What are the key properties of N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 347.42 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 97115371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).