4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide

C11H22N2O2 — CID 63041185

IUPAC4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCOCC1CC1)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-8(2)13-10(11(12)14)5-6-15-7-9-3-4-9/h8-10,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyAWWXNDYXNONOIT-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds8

About 4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide

4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide (PubChem CID 63041185) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
PubChem CID63041185
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCOCC1CC1)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-8(2)13-10(11(12)14)5-6-15-7-9-3-4-9/h8-10,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyAWWXNDYXNONOIT-UHFFFAOYSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide (CID 63041185) is 4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide is CC(C)NC(CCOCC1CC1)C(N)=O.
What is the InChIKey of 4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide?
The InChIKey is AWWXNDYXNONOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)13-10(11(12)14)5-6-15-7-9-3-4-9/h8-10,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide?
4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63041185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).