N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide

C12H20N2O3 — CID 136581114

IUPACN-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide
SMILESO=C(NCC1CC1)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H20N2O3/c15-10-4-2-1-3-9(10)14-12(17)11(16)13-7-8-5-6-8/h8-10,15H,1-7H2,(H,13,16)(H,14,17)/t9-,10-/m0/s1
InChIKeyCOZLZNWLGJTNOS-UWVGGRQHSA-N
MW240.30 g/mol
LogP-0.07
Rot. Bonds3

About N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide

N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide (PubChem CID 136581114) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide
PubChem CID136581114
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide
SMILESO=C(NCC1CC1)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H20N2O3/c15-10-4-2-1-3-9(10)14-12(17)11(16)13-7-8-5-6-8/h8-10,15H,1-7H2,(H,13,16)(H,14,17)/t9-,10-/m0/s1
InChIKeyCOZLZNWLGJTNOS-UWVGGRQHSA-N
XLogP-0.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide?
The IUPAC name of N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide (CID 136581114) is N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide is O=C(NCC1CC1)C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide?
The InChIKey is COZLZNWLGJTNOS-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-10-4-2-1-3-9(10)14-12(17)11(16)13-7-8-5-6-8/h8-10,15H,1-7H2,(H,13,16)(H,14,17)/t9-,10-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide?
N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide has a molecular weight of 240.30 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-[(1S,2S)-2-hydroxycyclohexyl]oxamide is sourced from PubChem (CID 136581114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).