N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide

C17H28N2O2 — CID 97080297

IUPACN-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)N[C@@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C17H28N2O2/c20-16(7-4-10-18-17(21)13-8-9-13)19-15-11-14(15)12-5-2-1-3-6-12/h12-15H,1-11H2,(H,18,21)(H,19,20)/t14-,15-/m1/s1
InChIKeyOCSOXYXOXPLADN-HUUCEWRRSA-N
MW292.42 g/mol
LogP2.38
Rot. Bonds7

About N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 97080297) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID97080297
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)N[C@@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C17H28N2O2/c20-16(7-4-10-18-17(21)13-8-9-13)19-15-11-14(15)12-5-2-1-3-6-12/h12-15H,1-11H2,(H,18,21)(H,19,20)/t14-,15-/m1/s1
InChIKeyOCSOXYXOXPLADN-HUUCEWRRSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-[[methyl-(2-methylcyclopropanecarbonyl)amino]methyl]cyclohexyl]cyclopropane-1-carboxamide
CID 72133972
N,N'-(cyclohexane-1,3-diyldimethanediyl)bis(2-methylcyclopropanecarboxamide)
CID 3705907
N-(4-propan-2-ylcyclohexyl)cyclopropanecarboxamide
CID 58394624
(2S)-2-(2-cyclopropylethyl)-N'-ethyl-3-[(2-methylcyclopropyl)methyl]butanediamide
CID 67582745
N-[(1R,2R)-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
CID 68375784
N-[4-(2-aminoethyl)cyclohexyl]-2-cyclopropylacetamide
CID 70905336
(2S,3R)-2-(2-cyclopropylethyl)-N'-ethyl-3-[(2-methylcyclopropyl)methyl]butanediamide
CID 71148587
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
CID 76966489
N-(4-cyclopropylcyclohexyl)-2-methylpropanamide
CID 89974790
1-N,4-N-dicyclopropylcyclohexane-1,4-dicarboxamide
CID 109144646
4-amino-N,2-dicyclopropylbutanamide
CID 142811661
N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexyl]methyl]cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 145818502

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide (CID 97080297) is N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide is O=C(CCCNC(=O)C1CC1)N[C@@H]1C[C@@H]1C1CCCCC1.
What is the InChIKey of N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is OCSOXYXOXPLADN-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16(7-4-10-18-17(21)13-8-9-13)19-15-11-14(15)12-5-2-1-3-6-12/h12-15H,1-11H2,(H,18,21)(H,19,20)/t14-,15-/m1/s1.
What are the key properties of N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 97080297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).