2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide

C11H23N3O2 — CID 71909672

IUPAC2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide
SMILESCC(C)NC(=O)NCCCNC(=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-8(2)10(15)12-6-5-7-13-11(16)14-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,15)(H2,13,14,16)
InChIKeyHBDCRRXLHBINKN-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.86
Rot. Bonds6

About 2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide

2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide (PubChem CID 71909672) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide
PubChem CID71909672
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide
SMILESCC(C)NC(=O)NCCCNC(=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-8(2)10(15)12-6-5-7-13-11(16)14-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,15)(H2,13,14,16)
InChIKeyHBDCRRXLHBINKN-UHFFFAOYSA-N
XLogP0.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide (CID 71909672) is 2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide is CC(C)NC(=O)NCCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide?
The InChIKey is HBDCRRXLHBINKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(2)10(15)12-6-5-7-13-11(16)14-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,15)(H2,13,14,16).
What are the key properties of 2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide?
2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide has a molecular weight of 229.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(propan-2-ylcarbamoylamino)propyl]propanamide is sourced from PubChem (CID 71909672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).