butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide

C17H33N3O3 — CID 142283718

IUPACbutanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide
SMILESCCCC(N)=O.CNCC1(C=O)CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C13H24N2O2.C4H9NO/c1-10(2)12(17)15-11-4-6-13(9-16,7-5-11)8-14-3;1-2-3-4(5)6/h9-11,14H,4-8H2,1-3H3,(H,15,17);2-3H2,1H3,(H2,5,6)
InChIKeyZHXHGSDARZNOHT-UHFFFAOYSA-N
MW327.47 g/mol
LogP1.38
Rot. Bonds7

About butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide

butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide (PubChem CID 142283718) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide.

Molecular Properties

Compound Namebutanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide
PubChem CID142283718
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Namebutanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide
SMILESCCCC(N)=O.CNCC1(C=O)CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C13H24N2O2.C4H9NO/c1-10(2)12(17)15-11-4-6-13(9-16,7-5-11)8-14-3;1-2-3-4(5)6/h9-11,14H,4-8H2,1-3H3,(H,15,17);2-3H2,1H3,(H2,5,6)
InChIKeyZHXHGSDARZNOHT-UHFFFAOYSA-N
XLogP1.38
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide?
The IUPAC name of butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide (CID 142283718) is butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide.
What is the SMILES notation for butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide?
The canonical SMILES for butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide is CCCC(N)=O.CNCC1(C=O)CCC(NC(=O)C(C)C)CC1.
What is the InChIKey of butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide?
The InChIKey is ZHXHGSDARZNOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.C4H9NO/c1-10(2)12(17)15-11-4-6-13(9-16,7-5-11)8-14-3;1-2-3-4(5)6/h9-11,14H,4-8H2,1-3H3,(H,15,17);2-3H2,1H3,(H2,5,6).
What are the key properties of butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide?
butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide has a molecular weight of 327.47 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide is sourced from PubChem (CID 142283718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).