N'-butan-2-yl-N-cycloheptylpropanediamide

C14H26N2O2 — CID 108941808

IUPACN'-butan-2-yl-N-cycloheptylpropanediamide
SMILESCCC(C)NC(=O)CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H26N2O2/c1-3-11(2)15-13(17)10-14(18)16-12-8-6-4-5-7-9-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySCLMQPODFMVUQE-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.13
Rot. Bonds5

About N'-butan-2-yl-N-cycloheptylpropanediamide

N'-butan-2-yl-N-cycloheptylpropanediamide (PubChem CID 108941808) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N'-butan-2-yl-N-cycloheptylpropanediamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-cycloheptylpropanediamide
PubChem CID108941808
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN'-butan-2-yl-N-cycloheptylpropanediamide
SMILESCCC(C)NC(=O)CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H26N2O2/c1-3-11(2)15-13(17)10-14(18)16-12-8-6-4-5-7-9-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySCLMQPODFMVUQE-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
N-cyclodecylpropanamide
CID 122483649
N-cyclooctylpropanamide
CID 3387497
N-cyclododecylpropanamide
CID 2784600
N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493
N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide
CID 134056980
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
N-butan-2-yl-3-[[(cyclohexylamino)-(ethylamino)methylidene]amino]propanamide;hydroiodide
CID 110959166
1-butan-2-yl-3-cyclopropylurea
CID 45366532
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-cycloheptylpropanediamide?
The IUPAC name of N'-butan-2-yl-N-cycloheptylpropanediamide (CID 108941808) is N'-butan-2-yl-N-cycloheptylpropanediamide.
What is the SMILES notation for N'-butan-2-yl-N-cycloheptylpropanediamide?
The canonical SMILES for N'-butan-2-yl-N-cycloheptylpropanediamide is CCC(C)NC(=O)CC(=O)NC1CCCCCC1.
What is the InChIKey of N'-butan-2-yl-N-cycloheptylpropanediamide?
The InChIKey is SCLMQPODFMVUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-11(2)15-13(17)10-14(18)16-12-8-6-4-5-7-9-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-butan-2-yl-N-cycloheptylpropanediamide?
N'-butan-2-yl-N-cycloheptylpropanediamide has a molecular weight of 254.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-cycloheptylpropanediamide is sourced from PubChem (CID 108941808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).