N'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide

C14H24N2O3 — CID 2915101

IUPACN'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)NC1CCCCCC1
InChIInChI=1S/C14H24N2O3/c17-13(15-10-12-8-5-9-19-12)14(18)16-11-6-3-1-2-4-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)
InChIKeyPLWOYMTWFSRMCG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.12
Rot. Bonds3

About N'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide

N'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 2915101) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide
PubChem CID2915101
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)NC1CCCCCC1
InChIInChI=1S/C14H24N2O3/c17-13(15-10-12-8-5-9-19-12)14(18)16-11-6-3-1-2-4-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)
InChIKeyPLWOYMTWFSRMCG-UHFFFAOYSA-N
XLogP1.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3156710
1-(2-Ethylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone;hydrochloride
CID 16192856
2-[(Oxolan-2-ylmethyl)amino]-1-(pyrrolidin-1-yl)ethan-1-one
CID 3229576
N,N-dimethyl-2-(oxolan-2-ylmethylamino)acetamide
CID 3229579
N,N-Bis(1-methylethyl)-2-[[(tetrahydro-2-furanyl)methyl]amino]propanamide
CID 3229586
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 3229427
1-(2-Methylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229572
1-(2-Ethylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229573
1-(Azepan-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229577
2-(4-ethyl-1,4-diazepan-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 53593110
N-methyl-2-[1-(oxolan-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 75504703
N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide
CID 164640528

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide (CID 2915101) is N'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide is O=C(NCC1CCCO1)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is PLWOYMTWFSRMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(15-10-12-8-5-9-19-12)14(18)16-11-6-3-1-2-4-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18).
What are the key properties of N'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide?
N'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 268.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 2915101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).