N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide

C11H22N2O2 — CID 65157006

IUPACN-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
SMILESCNCCCNC(=O)CCC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-12-7-3-8-13-11(14)6-5-10-4-2-9-15-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyTUUMXEFTDRSDSB-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.67
Rot. Bonds7

About N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide

N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide (PubChem CID 65157006) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
PubChem CID65157006
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
SMILESCNCCCNC(=O)CCC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-12-7-3-8-13-11(14)6-5-10-4-2-9-15-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyTUUMXEFTDRSDSB-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.67
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-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 86930166
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
1-(methylamino)-5-(oxolan-2-yl)pentan-3-one
CID 116561140
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide
CID 107321014
N-(6-iodohexyl)-3-(oxan-2-yl)propanamide
CID 107848186
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide
CID 106386302
methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
CID 63939050
N-(4-amino-4-sulfanylidenebutyl)-3-(oxan-2-yl)propanamide
CID 63952946

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide (CID 65157006) is N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide is CNCCCNC(=O)CCC1CCCO1.
What is the InChIKey of N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is TUUMXEFTDRSDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12-7-3-8-13-11(14)6-5-10-4-2-9-15-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide?
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 65157006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).