N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide

C11H23N3O2 — CID 83144225

IUPACN-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide
SMILESCC(NCC(C)C(C)(C)C)C(=O)NC(N)=O
InChIInChI=1S/C11H23N3O2/c1-7(11(3,4)5)6-13-8(2)9(15)14-10(12)16/h7-8,13H,6H2,1-5H3,(H3,12,14,15,16)
InChIKeyNYWSRROMFRYADA-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.84
Rot. Bonds4

About N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide

N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide (PubChem CID 83144225) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide
PubChem CID83144225
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide
SMILESCC(NCC(C)C(C)(C)C)C(=O)NC(N)=O
InChIInChI=1S/C11H23N3O2/c1-7(11(3,4)5)6-13-8(2)9(15)14-10(12)16/h7-8,13H,6H2,1-5H3,(H3,12,14,15,16)
InChIKeyNYWSRROMFRYADA-UHFFFAOYSA-N
XLogP0.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide?
The IUPAC name of N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide (CID 83144225) is N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide?
The canonical SMILES for N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide is CC(NCC(C)C(C)(C)C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide?
The InChIKey is NYWSRROMFRYADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-7(11(3,4)5)6-13-8(2)9(15)14-10(12)16/h7-8,13H,6H2,1-5H3,(H3,12,14,15,16).
What are the key properties of N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide?
N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide has a molecular weight of 229.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide is sourced from PubChem (CID 83144225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).