N-(3-ethoxy-3-methylbutyl)prop-2-enamide

C10H19NO2 — CID 123897679

IUPACN-(3-ethoxy-3-methylbutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)(C)OCC
InChIInChI=1S/C10H19NO2/c1-5-9(12)11-8-7-10(3,4)13-6-2/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyMJTHMTTTYHKMTC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds6

About N-(3-ethoxy-3-methylbutyl)prop-2-enamide

N-(3-ethoxy-3-methylbutyl)prop-2-enamide (PubChem CID 123897679) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(3-ethoxy-3-methylbutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-ethoxy-3-methylbutyl)prop-2-enamide
PubChem CID123897679
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(3-ethoxy-3-methylbutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)(C)OCC
InChIInChI=1S/C10H19NO2/c1-5-9(12)11-8-7-10(3,4)13-6-2/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyMJTHMTTTYHKMTC-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide
CID 144596587
N-(3-amino-3-methylbutyl)prop-2-enamide
CID 18522820
2,2-dimethyl-4-(prop-2-enoylamino)butanoic acid
CID 174997807
4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid
CID 121263526
N-[4-ethyl-7-(prop-2-enoylamino)-4-[(prop-2-enoylamino)methoxy]heptyl]prop-2-enamide
CID 170841416
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate
CID 167093318
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-(2-methoxysilylethyl)prop-2-enamide
CID 123735107
N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide
CID 139841313
N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide
CID 174323888

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-3-methylbutyl)prop-2-enamide?
The IUPAC name of N-(3-ethoxy-3-methylbutyl)prop-2-enamide (CID 123897679) is N-(3-ethoxy-3-methylbutyl)prop-2-enamide.
What is the SMILES notation for N-(3-ethoxy-3-methylbutyl)prop-2-enamide?
The canonical SMILES for N-(3-ethoxy-3-methylbutyl)prop-2-enamide is C=CC(=O)NCCC(C)(C)OCC.
What is the InChIKey of N-(3-ethoxy-3-methylbutyl)prop-2-enamide?
The InChIKey is MJTHMTTTYHKMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-9(12)11-8-7-10(3,4)13-6-2/h5H,1,6-8H2,2-4H3,(H,11,12).
What are the key properties of N-(3-ethoxy-3-methylbutyl)prop-2-enamide?
N-(3-ethoxy-3-methylbutyl)prop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-3-methylbutyl)prop-2-enamide is sourced from PubChem (CID 123897679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).