N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide

C17H30N4O2 — CID 139444819

IUPACN-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide
SMILESC=C(N)C1CCCN1C(=O)C(NC(=O)CNC)C1CCCCC1
InChIInChI=1S/C17H30N4O2/c1-12(18)14-9-6-10-21(14)17(23)16(20-15(22)11-19-2)13-7-4-3-5-8-13/h13-14,16,19H,1,3-11,18H2,2H3,(H,20,22)
InChIKeyKQQIXZSOTSGTON-UHFFFAOYSA-N
MW322.45 g/mol
LogP0.73
Rot. Bonds6

About N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide

N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide (PubChem CID 139444819) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide
PubChem CID139444819
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide
SMILESC=C(N)C1CCCN1C(=O)C(NC(=O)CNC)C1CCCCC1
InChIInChI=1S/C17H30N4O2/c1-12(18)14-9-6-10-21(14)17(23)16(20-15(22)11-19-2)13-7-4-3-5-8-13/h13-14,16,19H,1,3-11,18H2,2H3,(H,20,22)
InChIKeyKQQIXZSOTSGTON-UHFFFAOYSA-N
XLogP0.73
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide (CID 139444819) is N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide is C=C(N)C1CCCN1C(=O)C(NC(=O)CNC)C1CCCCC1.
What is the InChIKey of N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide?
The InChIKey is KQQIXZSOTSGTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-12(18)14-9-6-10-21(14)17(23)16(20-15(22)11-19-2)13-7-4-3-5-8-13/h13-14,16,19H,1,3-11,18H2,2H3,(H,20,22).
What are the key properties of N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide?
N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide has a molecular weight of 322.45 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 139444819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).