N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide

C13H24N2O3 — CID 45497336

IUPACN-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide
SMILESCOCC(C)NC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(9-18-2)14-12(16)13(17)15-11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFTWUFDRYEZHJDE-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.98
Rot. Bonds4

About N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide

N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide (PubChem CID 45497336) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide
PubChem CID45497336
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide
SMILESCOCC(C)NC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(9-18-2)14-12(16)13(17)15-11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFTWUFDRYEZHJDE-UHFFFAOYSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-2-methoxyacetamide
CID 936430
N-cycloheptyl-2-formamidoacetamide
CID 3240875
2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide;hydrochloride
CID 16192838
N-cycloheptyl-N'-(3-methoxypropyl)ethanediamide
CID 2914308
N-cycloheptyl-N'-isopropylethanediamide
CID 2286863
2-(azepan-1-yl)-N-(2-methoxyethyl)acetamide
CID 3229428
1-(Azepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 3229605
N-cycloheptyl-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6471078
(2S)-N-cyclohexyl-2-[(2-methoxyacetyl)amino]propanamide
CID 38406148
2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47006248
N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide
CID 164640528
(2R)-2-acetamido-3-methoxy-N-octadecylpropanamide
CID 132550886

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide?
The IUPAC name of N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide (CID 45497336) is N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide.
What is the SMILES notation for N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide?
The canonical SMILES for N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide is COCC(C)NC(=O)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide?
The InChIKey is FTWUFDRYEZHJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(9-18-2)14-12(16)13(17)15-11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide?
N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide has a molecular weight of 256.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(1-methoxypropan-2-yl)oxamide is sourced from PubChem (CID 45497336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).