N-ethoxy-3-(ethylamino)-2-methylpropanamide

C8H18N2O2 — CID 64974607

IUPACN-ethoxy-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NOCC
InChIInChI=1S/C8H18N2O2/c1-4-9-6-7(3)8(11)10-12-5-2/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeyWBNHPWHVXPXEIP-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.30
Rot. Bonds6

About N-ethoxy-3-(ethylamino)-2-methylpropanamide

N-ethoxy-3-(ethylamino)-2-methylpropanamide (PubChem CID 64974607) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N-ethoxy-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-ethoxy-3-(ethylamino)-2-methylpropanamide
PubChem CID64974607
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN-ethoxy-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NOCC
InChIInChI=1S/C8H18N2O2/c1-4-9-6-7(3)8(11)10-12-5-2/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeyWBNHPWHVXPXEIP-UHFFFAOYSA-N
XLogP0.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
(2S)-N-ethoxy-2-methylpentanamide
CID 90228672
N-ethoxy-2-methylpropanamide
CID 60717901
3-(ethylamino)-2-methylpropanamide
CID 43311981
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide
CID 106344993
3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide
CID 115325261
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
N-ethoxy-2-methylbut-3-enamide
CID 143446399
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 106236540

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-ethoxy-3-(ethylamino)-2-methylpropanamide (CID 64974607) is N-ethoxy-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-ethoxy-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-ethoxy-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)NOCC.
What is the InChIKey of N-ethoxy-3-(ethylamino)-2-methylpropanamide?
The InChIKey is WBNHPWHVXPXEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-9-6-7(3)8(11)10-12-5-2/h7,9H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-ethoxy-3-(ethylamino)-2-methylpropanamide?
N-ethoxy-3-(ethylamino)-2-methylpropanamide has a molecular weight of 174.24 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 64974607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).