N-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide

C17H30N2O2 — CID 651913

IUPACN-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide
SMILESCC(C)N(C=O)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C17H30N2O2/c1-14(2)19(13-20)17(11-7-4-8-12-17)16(21)18-15-9-5-3-6-10-15/h13-15H,3-12H2,1-2H3,(H,18,21)
InChIKeyRIOOBHJNMMRTMU-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.01
Rot. Bonds5

About N-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide

N-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide (PubChem CID 651913) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide
PubChem CID651913
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide
SMILESCC(C)N(C=O)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C17H30N2O2/c1-14(2)19(13-20)17(11-7-4-8-12-17)16(21)18-15-9-5-3-6-10-15/h13-15H,3-12H2,1-2H3,(H,18,21)
InChIKeyRIOOBHJNMMRTMU-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide (CID 651913) is N-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide is CC(C)N(C=O)C1(C(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of N-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is RIOOBHJNMMRTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14(2)19(13-20)17(11-7-4-8-12-17)16(21)18-15-9-5-3-6-10-15/h13-15H,3-12H2,1-2H3,(H,18,21).
What are the key properties of N-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide?
N-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 651913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).