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

C13H26N4O2 — CID 120830301

IUPAC1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
SMILESCCNC(=O)NC1(C(=O)NCC(C)NC)CCCC1
InChIInChI=1S/C13H26N4O2/c1-4-15-12(19)17-13(7-5-6-8-13)11(18)16-9-10(2)14-3/h10,14H,4-9H2,1-3H3,(H,16,18)(H2,15,17,19)
InChIKeyILSMQZLMVWBXPE-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.34
Rot. Bonds6

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

1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide (PubChem CID 120830301) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
PubChem CID120830301
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
SMILESCCNC(=O)NC1(C(=O)NCC(C)NC)CCCC1
InChIInChI=1S/C13H26N4O2/c1-4-15-12(19)17-13(7-5-6-8-13)11(18)16-9-10(2)14-3/h10,14H,4-9H2,1-3H3,(H,16,18)(H2,15,17,19)
InChIKeyILSMQZLMVWBXPE-UHFFFAOYSA-N
XLogP0.34
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide (CID 120830301) is 1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide is CCNC(=O)NC1(C(=O)NCC(C)NC)CCCC1.
What is the InChIKey of 1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide?
The InChIKey is ILSMQZLMVWBXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-4-15-12(19)17-13(7-5-6-8-13)11(18)16-9-10(2)14-3/h10,14H,4-9H2,1-3H3,(H,16,18)(H2,15,17,19).
What are the key properties of 1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide?
1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 0.34, 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)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 120830301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).