N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide

C12H24N2O2 — CID 63297357

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCC(O)C1CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)13-7-3-4-12(16)14-8-11(15)10-5-6-10/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyIQWBZOZCZVKQBS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.65
Rot. Bonds8

About N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide

N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide (PubChem CID 63297357) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide
PubChem CID63297357
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCC(O)C1CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)13-7-3-4-12(16)14-8-11(15)10-5-6-10/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyIQWBZOZCZVKQBS-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
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 N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide (CID 63297357) is N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is IQWBZOZCZVKQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)13-7-3-4-12(16)14-8-11(15)10-5-6-10/h9-11,13,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide?
N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63297357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).