N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide

C12H26N2O2 — CID 119503874

IUPACN-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide
SMILESCNCCNC(=O)CCOC(C)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)9-11(3)16-8-5-12(15)14-7-6-13-4/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyJTGKMSMVJLHBLU-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.16
Rot. Bonds9

About N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide

N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide (PubChem CID 119503874) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide
PubChem CID119503874
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide
SMILESCNCCNC(=O)CCOC(C)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)9-11(3)16-8-5-12(15)14-7-6-13-4/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyJTGKMSMVJLHBLU-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.16
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-(3-amino-2-methylpropyl)-3-(4-methylpentan-2-yloxy)propanamide
CID 119995373
N-[2-(4-aminophenyl)ethyl]-3-(4-methylpentan-2-yloxy)propanamide
CID 119549491
N-(2-amino-2-ethylbutyl)-3-(4-methylpentan-2-yloxy)propanamide
CID 119643447
3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102
3-[(2R)-4-methylpentan-2-yl]oxy-N-(2-methyl-2-phenylpropyl)propanamide
CID 95975809
N-[2-(methylamino)ethyl]-2-propan-2-yloxyacetamide
CID 112701277
N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide
CID 108538534
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide
CID 153398683
3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464085
hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate
CID 66339650
3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide
CID 169159102

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide?
The IUPAC name of N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide (CID 119503874) is N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide is CNCCNC(=O)CCOC(C)CC(C)C.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide?
The InChIKey is JTGKMSMVJLHBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)9-11(3)16-8-5-12(15)14-7-6-13-4/h10-11,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide?
N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide has a molecular weight of 230.35 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-(4-methylpentan-2-yloxy)propanamide is sourced from PubChem (CID 119503874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).