1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride

C13H26ClN3O2 — CID 119300648

IUPAC1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1(NC(=O)CN)CCCCC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-3-16(4-2)12(18)13(15-11(17)10-14)8-6-5-7-9-13;/h3-10,14H2,1-2H3,(H,15,17);1H
InChIKeyFENIOFQHBUMNCH-UHFFFAOYSA-N
MW291.82 g/mol
LogP1.05
Rot. Bonds5

About 1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride

1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119300648) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119300648
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1(NC(=O)CN)CCCCC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-3-16(4-2)12(18)13(15-11(17)10-14)8-6-5-7-9-13;/h3-10,14H2,1-2H3,(H,15,17);1H
InChIKeyFENIOFQHBUMNCH-UHFFFAOYSA-N
XLogP1.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride (CID 119300648) is 1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride is CCN(CC)C(=O)C1(NC(=O)CN)CCCCC1.Cl.
What is the InChIKey of 1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is FENIOFQHBUMNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-3-16(4-2)12(18)13(15-11(17)10-14)8-6-5-7-9-13;/h3-10,14H2,1-2H3,(H,15,17);1H.
What are the key properties of 1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride?
1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119300648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).