N-ethoxy-4-(methylamino)butanamide

C7H16N2O2 — CID 64974589

IUPACN-ethoxy-4-(methylamino)butanamide
SMILESCCONC(=O)CCCNC
InChIInChI=1S/C7H16N2O2/c1-3-11-9-7(10)5-4-6-8-2/h8H,3-6H2,1-2H3,(H,9,10)
InChIKeyXDWKKSWDMKYCFR-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.05
Rot. Bonds6

About N-ethoxy-4-(methylamino)butanamide

N-ethoxy-4-(methylamino)butanamide (PubChem CID 64974589) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-ethoxy-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-ethoxy-4-(methylamino)butanamide
PubChem CID64974589
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC NameN-ethoxy-4-(methylamino)butanamide
SMILESCCONC(=O)CCCNC
InChIInChI=1S/C7H16N2O2/c1-3-11-9-7(10)5-4-6-8-2/h8H,3-6H2,1-2H3,(H,9,10)
InChIKeyXDWKKSWDMKYCFR-UHFFFAOYSA-N
XLogP0.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethoxy-4-hydroxybutanamide
CID 79191598
6-acetamido-N-ethoxyhexanamide
CID 60717872
ethyl 4-[4-(methylamino)butanoylamino]butanoate;hydrochloride
CID 119726258
N-methyl-4-(methylamino)butanamide;molecular hydrogen
CID 176574478
4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide
CID 18169010
methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate
CID 60964013
ethyl 6-(methylamino)hexanoate;hydrochloride
CID 87871170
N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide
CID 60843110
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
methyl 3-methyl-2-[4-(methylamino)butanoylamino]butanoate
CID 60841891
N-methyl-11-(methylamino)undecanamide
CID 59809097
N-(cyclopropylmethyl)-4-(methylamino)butanamide
CID 60841851

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-(methylamino)butanamide?
The IUPAC name of N-ethoxy-4-(methylamino)butanamide (CID 64974589) is N-ethoxy-4-(methylamino)butanamide.
What is the SMILES notation for N-ethoxy-4-(methylamino)butanamide?
The canonical SMILES for N-ethoxy-4-(methylamino)butanamide is CCONC(=O)CCCNC.
What is the InChIKey of N-ethoxy-4-(methylamino)butanamide?
The InChIKey is XDWKKSWDMKYCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-11-9-7(10)5-4-6-8-2/h8H,3-6H2,1-2H3,(H,9,10).
What are the key properties of N-ethoxy-4-(methylamino)butanamide?
N-ethoxy-4-(methylamino)butanamide has a molecular weight of 160.22 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-(methylamino)butanamide is sourced from PubChem (CID 64974589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).