N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide

C12H22N2O3 — CID 108957380

IUPACN-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
SMILESCOCCCNC(=O)C(C)(C)C(=O)NC1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,11(16)14-9-5-6-9)10(15)13-7-4-8-17-3/h9H,4-8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyMWENWAXRYVHARG-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.44
Rot. Bonds7

About N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide

N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide (PubChem CID 108957380) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
PubChem CID108957380
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
SMILESCOCCCNC(=O)C(C)(C)C(=O)NC1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,11(16)14-9-5-6-9)10(15)13-7-4-8-17-3/h9H,4-8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyMWENWAXRYVHARG-UHFFFAOYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108957385
N'-cyclopropyl-N-(3-methoxypropyl)propanediamide
CID 108940973
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
2,2-diiodo-N-(3-methoxypropyl)propanamide
CID 170194646
N'-cyclohexyl-N-(3-methoxypropyl)propanediamide
CID 108942501
N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960232
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959753
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide (CID 108957380) is N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide is COCCCNC(=O)C(C)(C)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
The InChIKey is MWENWAXRYVHARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,11(16)14-9-5-6-9)10(15)13-7-4-8-17-3/h9H,4-8H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide?
N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide has a molecular weight of 242.32 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108957380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).