N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide

C13H25N3O2 — CID 64562456

IUPACN-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)C1CCCCCN1
InChIInChI=1S/C13H25N3O2/c1-10(2)15-12(17)9-16(3)13(18)11-7-5-4-6-8-14-11/h10-11,14H,4-9H2,1-3H3,(H,15,17)
InChIKeyBBSKZXVHXBUUDF-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.50
Rot. Bonds4

About N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide

N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide (PubChem CID 64562456) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide
PubChem CID64562456
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)C1CCCCCN1
InChIInChI=1S/C13H25N3O2/c1-10(2)15-12(17)9-16(3)13(18)11-7-5-4-6-8-14-11/h10-11,14H,4-9H2,1-3H3,(H,15,17)
InChIKeyBBSKZXVHXBUUDF-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-N-(2-methylprop-2-enyl)piperidine-2-carboxamide
CID 104914782
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61164074
(2S)-N-(2-anilino-2-oxoethyl)-N-methylpiperidine-2-carboxamide
CID 103809357
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272502
N-(cyclopropylmethyl)-N-methylazepane-2-carboxamide
CID 64563812
N-[2-(diethylamino)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 54872870
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119272093
N-(2-cyanopropyl)-N-methylazepane-2-carboxamide
CID 64563051
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 60783712
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azepane-2-carboxamide
CID 64561893
(2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide
CID 103809890
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide (CID 64562456) is N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide is CC(C)NC(=O)CN(C)C(=O)C1CCCCCN1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide?
The InChIKey is BBSKZXVHXBUUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)15-12(17)9-16(3)13(18)11-7-5-4-6-8-14-11/h10-11,14H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide?
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide is sourced from PubChem (CID 64562456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).