2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride

C16H33ClN4O2 — CID 119619625

IUPAC2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C16H32N4O2.ClH/c1-2-3-10-14(20-16(17)22)15(21)19-12-11-18-13-8-6-4-5-7-9-13;/h13-14,18H,2-12H2,1H3,(H,19,21)(H3,17,20,22);1H
InChIKeyJLGLAMFAUQYZLY-UHFFFAOYSA-N
MW348.92 g/mol
LogP2.06
Rot. Bonds9

About 2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride

2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride (PubChem CID 119619625) has the molecular formula C16H33ClN4O2 and a molecular weight of 348.92 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride
PubChem CID119619625
Molecular FormulaC16H33ClN4O2
Molecular Weight348.92 g/mol
Exact Mass348.23
IUPAC Name2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C16H32N4O2.ClH/c1-2-3-10-14(20-16(17)22)15(21)19-12-11-18-13-8-6-4-5-7-9-13;/h13-14,18H,2-12H2,1H3,(H,19,21)(H3,17,20,22);1H
InChIKeyJLGLAMFAUQYZLY-UHFFFAOYSA-N
XLogP2.06
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 52.06
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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Related Compounds

(2R)-2-(carbamoylamino)-N-cyclopentylhexanamide
CID 94202974
N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide
CID 119475285
2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride
CID 119460747
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
(2S)-2-[2-(carbamoylamino)hexanoylamino]propanoic acid
CID 119942919
2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride
CID 119619470
(2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide
CID 119591011
N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride
CID 119619329
2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride
CID 120577618
N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 120508848
(2S)-2-(carbamoylamino)-N-cycloheptyl-4-methylsulfanylbutanamide
CID 9218034

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride?
The IUPAC name of 2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride (CID 119619625) is 2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride?
The canonical SMILES for 2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride is CCCCC(NC(N)=O)C(=O)NCCNC1CCCCCC1.Cl.
What is the InChIKey of 2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride?
The InChIKey is JLGLAMFAUQYZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2.ClH/c1-2-3-10-14(20-16(17)22)15(21)19-12-11-18-13-8-6-4-5-7-9-13;/h13-14,18H,2-12H2,1H3,(H,19,21)(H3,17,20,22);1H.
What are the key properties of 2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride?
2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 2.06, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride is sourced from PubChem (CID 119619625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).