N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide

C12H24N2O2 — CID 115714064

IUPACN,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide
SMILESCC(NCCCC(=O)N(C)C)C1CCOC1
InChIInChI=1S/C12H24N2O2/c1-10(11-6-8-16-9-11)13-7-4-5-12(15)14(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyGKMYKKQPKBLICP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds6

About N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide

N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide (PubChem CID 115714064) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide
PubChem CID115714064
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide
SMILESCC(NCCCC(=O)N(C)C)C1CCOC1
InChIInChI=1S/C12H24N2O2/c1-10(11-6-8-16-9-11)13-7-4-5-12(15)14(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyGKMYKKQPKBLICP-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate
CID 104696501
3-ethoxy-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115704257
N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 115704238
3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115707883
tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate
CID 103785966
2-[2-[1-(oxolan-3-yl)ethylamino]ethoxy]acetamide
CID 106235023
2-[1-(oxolan-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 115707603
tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate
CID 107446215
N,N-dimethyl-3-(oxolan-3-ylamino)propanamide
CID 63335526
N-ethyl-2-[1-(oxolan-3-yl)ethylamino]acetamide
CID 115707073
1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 103906098
2-hydroxy-2-methyl-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 103430535

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide?
The IUPAC name of N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide (CID 115714064) is N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide?
The canonical SMILES for N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide is CC(NCCCC(=O)N(C)C)C1CCOC1.
What is the InChIKey of N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide?
The InChIKey is GKMYKKQPKBLICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(11-6-8-16-9-11)13-7-4-5-12(15)14(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide?
N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide is sourced from PubChem (CID 115714064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).