N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide

C16H28N2O2 — CID 126819028

IUPACN-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NCC2(CC(N)=O)CC2)CC(C)(C)C1
InChIInChI=1S/C16H28N2O2/c1-11-6-12(8-15(2,3)7-11)14(20)18-10-16(4-5-16)9-13(17)19/h11-12H,4-10H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyVPKMYGKYIDKURQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.22
Rot. Bonds5

About N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide

N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide (PubChem CID 126819028) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide
PubChem CID126819028
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NCC2(CC(N)=O)CC2)CC(C)(C)C1
InChIInChI=1S/C16H28N2O2/c1-11-6-12(8-15(2,3)7-11)14(20)18-10-16(4-5-16)9-13(17)19/h11-12H,4-10H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyVPKMYGKYIDKURQ-UHFFFAOYSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide (CID 126819028) is N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide is CC1CC(C(=O)NCC2(CC(N)=O)CC2)CC(C)(C)C1.
What is the InChIKey of N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide?
The InChIKey is VPKMYGKYIDKURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11-6-12(8-15(2,3)7-11)14(20)18-10-16(4-5-16)9-13(17)19/h11-12H,4-10H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide?
N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-3,3,5-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 126819028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).