5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide

C13H24N2O2 — CID 175801749

IUPAC5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide
SMILESC=C(CCCN(C)C)C(=O)NCC1CCCO1
InChIInChI=1S/C13H24N2O2/c1-11(6-4-8-15(2)3)13(16)14-10-12-7-5-9-17-12/h12H,1,4-10H2,2-3H3,(H,14,16)
InChIKeySKNPRAPBAUZESB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds7

About 5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide

5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide (PubChem CID 175801749) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide
PubChem CID175801749
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide
SMILESC=C(CCCN(C)C)C(=O)NCC1CCCO1
InChIInChI=1S/C13H24N2O2/c1-11(6-4-8-15(2)3)13(16)14-10-12-7-5-9-17-12/h12H,1,4-10H2,2-3H3,(H,14,16)
InChIKeySKNPRAPBAUZESB-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3156704
1-[3-(dimethylamino)propyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 27450952
N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994233
N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
CID 3149550
N-(3-methoxypropyl)-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7013045
N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7013044
(2S)-2-[2-(dimethylamino)ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7437265
N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2287959
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide?
The IUPAC name of 5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide (CID 175801749) is 5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide.
What is the SMILES notation for 5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide?
The canonical SMILES for 5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide is C=C(CCCN(C)C)C(=O)NCC1CCCO1.
What is the InChIKey of 5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide?
The InChIKey is SKNPRAPBAUZESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(6-4-8-15(2)3)13(16)14-10-12-7-5-9-17-12/h12H,1,4-10H2,2-3H3,(H,14,16).
What are the key properties of 5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide?
5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide has a molecular weight of 240.35 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-methylidene-N-(oxolan-2-ylmethyl)pentanamide is sourced from PubChem (CID 175801749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).