N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide

C13H26N4O2 — CID 119475285

IUPACN-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide
SMILESCCCCC(NC(N)=O)C(=O)NC1CCC(N)CC1
InChIInChI=1S/C13H26N4O2/c1-2-3-4-11(17-13(15)19)12(18)16-10-7-5-9(14)6-8-10/h9-11H,2-8,14H2,1H3,(H,16,18)(H3,15,17,19)
InChIKeyMVXPEZPDUOFNNV-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.60
Rot. Bonds6

About N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide

N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide (PubChem CID 119475285) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide
PubChem CID119475285
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide
SMILESCCCCC(NC(N)=O)C(=O)NC1CCC(N)CC1
InChIInChI=1S/C13H26N4O2/c1-2-3-4-11(17-13(15)19)12(18)16-10-7-5-9(14)6-8-10/h9-11H,2-8,14H2,1H3,(H,16,18)(H3,15,17,19)
InChIKeyMVXPEZPDUOFNNV-UHFFFAOYSA-N
XLogP0.60
TPSA110.24 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 ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(carbamoylamino)-N-cyclopentylhexanamide
CID 94202974
2-(carbamoylamino)-N-(3-methylpiperidin-4-yl)hexanamide
CID 120555425
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride
CID 120577618
2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride
CID 119619625
6-amino-N-(4-aminocyclohexyl)-2-methylheptanamide
CID 65291413
(2S)-2-[2-(carbamoylamino)hexanoylamino]propanoic acid
CID 119942919
(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide
CID 50914002
2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride
CID 119460747
N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 120508848
(2S)-2-(carbamoylamino)-N-cycloheptyl-4-methylsulfanylbutanamide
CID 9218034
N-(4-aminocyclohexyl)-2-ethoxypropanamide
CID 119478328

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide (CID 119475285) is N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide is CCCCC(NC(N)=O)C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide?
The InChIKey is MVXPEZPDUOFNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-2-3-4-11(17-13(15)19)12(18)16-10-7-5-9(14)6-8-10/h9-11H,2-8,14H2,1H3,(H,16,18)(H3,15,17,19).
What are the key properties of N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide?
N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide has a molecular weight of 270.38 g/mol, XLogP of 0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide is sourced from PubChem (CID 119475285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).