N-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide

C12H20N2O2 — CID 79385690

IUPACN-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
SMILESO=C(CCNCC1CCC=CO1)NC1CC1
InChIInChI=1S/C12H20N2O2/c15-12(14-10-4-5-10)6-7-13-9-11-3-1-2-8-16-11/h2,8,10-11,13H,1,3-7,9H2,(H,14,15)
InChIKeyYQYWCPQTRUJSDC-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.94
Rot. Bonds6

About N-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide

N-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide (PubChem CID 79385690) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
PubChem CID79385690
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
SMILESO=C(CCNCC1CCC=CO1)NC1CC1
InChIInChI=1S/C12H20N2O2/c15-12(14-10-4-5-10)6-7-13-9-11-3-1-2-8-16-11/h2,8,10-11,13H,1,3-7,9H2,(H,14,15)
InChIKeyYQYWCPQTRUJSDC-UHFFFAOYSA-N
XLogP0.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.94
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 N-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide?
The IUPAC name of N-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide (CID 79385690) is N-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide?
The canonical SMILES for N-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide is O=C(CCNCC1CCC=CO1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide?
The InChIKey is YQYWCPQTRUJSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(14-10-4-5-10)6-7-13-9-11-3-1-2-8-16-11/h2,8,10-11,13H,1,3-7,9H2,(H,14,15).
What are the key properties of N-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide?
N-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide has a molecular weight of 224.30 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide is sourced from PubChem (CID 79385690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).