N-propan-2-yl-3-(3-propoxypropylamino)propanamide

C12H26N2O2 — CID 82942492

IUPACN-propan-2-yl-3-(3-propoxypropylamino)propanamide
SMILESCCCOCCCNCCC(=O)NC(C)C
InChIInChI=1S/C12H26N2O2/c1-4-9-16-10-5-7-13-8-6-12(15)14-11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyAAEUPGYRAMZNPC-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.31
Rot. Bonds10

About N-propan-2-yl-3-(3-propoxypropylamino)propanamide

N-propan-2-yl-3-(3-propoxypropylamino)propanamide (PubChem CID 82942492) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-propan-2-yl-3-(3-propoxypropylamino)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(3-propoxypropylamino)propanamide
PubChem CID82942492
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-propan-2-yl-3-(3-propoxypropylamino)propanamide
SMILESCCCOCCCNCCC(=O)NC(C)C
InChIInChI=1S/C12H26N2O2/c1-4-9-16-10-5-7-13-8-6-12(15)14-11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyAAEUPGYRAMZNPC-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.31
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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Related Compounds

N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide
CID 103409413
3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
CID 154677786
ethyl 3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanoate
CID 62625377
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
CID 22381487
N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide
CID 113410009
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 112685288
N-[2-(3-propoxypropylamino)ethyl]acetamide
CID 107529829
N-ethyl-2-(3-propoxypropylamino)acetamide
CID 82943813
3-(2-methylpentylamino)-N-propan-2-ylpropanamide
CID 115904706
3-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111222698
4-amino-N-(3-propoxypropyl)pentanamide
CID 82942655

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(3-propoxypropylamino)propanamide?
The IUPAC name of N-propan-2-yl-3-(3-propoxypropylamino)propanamide (CID 82942492) is N-propan-2-yl-3-(3-propoxypropylamino)propanamide.
What is the SMILES notation for N-propan-2-yl-3-(3-propoxypropylamino)propanamide?
The canonical SMILES for N-propan-2-yl-3-(3-propoxypropylamino)propanamide is CCCOCCCNCCC(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-3-(3-propoxypropylamino)propanamide?
The InChIKey is AAEUPGYRAMZNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-9-16-10-5-7-13-8-6-12(15)14-11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-propan-2-yl-3-(3-propoxypropylamino)propanamide?
N-propan-2-yl-3-(3-propoxypropylamino)propanamide has a molecular weight of 230.35 g/mol, XLogP of 1.31, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(3-propoxypropylamino)propanamide is sourced from PubChem (CID 82942492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).