1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide

C12H24N4O2 — CID 119500778

IUPAC1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide
SMILESCCNC(=O)NC1(C(=O)NCCNC)CCCC1
InChIInChI=1S/C12H24N4O2/c1-3-14-11(18)16-12(6-4-5-7-12)10(17)15-9-8-13-2/h13H,3-9H2,1-2H3,(H,15,17)(H2,14,16,18)
InChIKeyDFHRNCFHEGFQLR-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.05
Rot. Bonds6

About 1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide

1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide (PubChem CID 119500778) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide
PubChem CID119500778
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide
SMILESCCNC(=O)NC1(C(=O)NCCNC)CCCC1
InChIInChI=1S/C12H24N4O2/c1-3-14-11(18)16-12(6-4-5-7-12)10(17)15-9-8-13-2/h13H,3-9H2,1-2H3,(H,15,17)(H2,14,16,18)
InChIKeyDFHRNCFHEGFQLR-UHFFFAOYSA-N
XLogP-0.05
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide (CID 119500778) is 1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide is CCNC(=O)NC1(C(=O)NCCNC)CCCC1.
What is the InChIKey of 1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide?
The InChIKey is DFHRNCFHEGFQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-14-11(18)16-12(6-4-5-7-12)10(17)15-9-8-13-2/h13H,3-9H2,1-2H3,(H,15,17)(H2,14,16,18).
What are the key properties of 1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide?
1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of -0.05, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylcarbamoylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119500778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).