N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide

C12H24N4O2 — CID 83110160

IUPACN-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)C1CCCCCN1
InChIInChI=1S/C12H24N4O2/c1-16(2)12(18)15-9-8-14-11(17)10-6-4-3-5-7-13-10/h10,13H,3-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyJNNWVAMMEOADKQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.09
Rot. Bonds4

About N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide

N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide (PubChem CID 83110160) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide
PubChem CID83110160
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)C1CCCCCN1
InChIInChI=1S/C12H24N4O2/c1-16(2)12(18)15-9-8-14-11(17)10-6-4-3-5-7-13-10/h10,13H,3-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyJNNWVAMMEOADKQ-UHFFFAOYSA-N
XLogP-0.09
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylcarbamoylamino)ethyl]piperidine-2-carboxamide
CID 83110133
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
N-[2-(methanesulfonamido)ethyl]azepane-2-carboxamide
CID 64564371
(2R)-N-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119689244
(2R)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119866061
N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 62641689
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
(2R)-N-[2-(dimethylamino)propyl]piperidine-2-carboxamide
CID 103814112
N-[3-(diethylamino)propyl]azepane-2-carboxamide
CID 64563964
N-[2-[2-methoxyethyl(methyl)amino]ethyl]azepane-2-carboxamide
CID 64570141
N-(4-hydroxybutyl)azepane-2-carboxamide
CID 106842137

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide (CID 83110160) is N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide is CN(C)C(=O)NCCNC(=O)C1CCCCCN1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide?
The InChIKey is JNNWVAMMEOADKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-16(2)12(18)15-9-8-14-11(17)10-6-4-3-5-7-13-10/h10,13H,3-9H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide?
N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide is sourced from PubChem (CID 83110160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).