N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide

C15H24N2O3 — CID 139335032

IUPACN-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C(=O)C(=O)NCC1CC1
InChIInChI=1S/C15H24N2O3/c1-10(13(18)15(20)16-9-11-7-8-11)17-14(19)12-5-3-2-4-6-12/h10-12H,2-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyCKOPQOXDMLMBSJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.17
Rot. Bonds6

About N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide

N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 139335032) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide
PubChem CID139335032
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C(=O)C(=O)NCC1CC1
InChIInChI=1S/C15H24N2O3/c1-10(13(18)15(20)16-9-11-7-8-11)17-14(19)12-5-3-2-4-6-12/h10-12H,2-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyCKOPQOXDMLMBSJ-UHFFFAOYSA-N
XLogP1.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 139335059
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 94867461
N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94646380
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427
N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120832836
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
pentyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 20836661
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide (CID 139335032) is N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide is CC(NC(=O)C1CCCCC1)C(=O)C(=O)NCC1CC1.
What is the InChIKey of N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is CKOPQOXDMLMBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(13(18)15(20)16-9-11-7-8-11)17-14(19)12-5-3-2-4-6-12/h10-12H,2-9H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide?
N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 139335032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).