(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide

C16H29NO5 — CID 138726688

IUPAC(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide
SMILESCCC(=O)COCCOCCOCCNC(=O)/C=C/C(C)C
InChIInChI=1S/C16H29NO5/c1-4-15(18)13-22-12-11-21-10-9-20-8-7-17-16(19)6-5-14(2)3/h5-6,14H,4,7-13H2,1-3H3,(H,17,19)/b6-5+
InChIKeyBHZFSMZVRSWVKF-AATRIKPKSA-N
MW315.41 g/mol
LogP1.34
Rot. Bonds14

About (E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide

(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide (PubChem CID 138726688) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is (E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide
PubChem CID138726688
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide
SMILESCCC(=O)COCCOCCOCCNC(=O)/C=C/C(C)C
InChIInChI=1S/C16H29NO5/c1-4-15(18)13-22-12-11-21-10-9-20-8-7-17-16(19)6-5-14(2)3/h5-6,14H,4,7-13H2,1-3H3,(H,17,19)/b6-5+
InChIKeyBHZFSMZVRSWVKF-AATRIKPKSA-N
XLogP1.34
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
CID 155455431
3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide
CID 155077240
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069
2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide
CID 156820627
(E)-5-methyl-4-oxo-N-(2-propoxyethyl)hex-2-enamide
CID 178008368
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
CID 170139012
molecular hydrogen;N-[2-oxo-2-[2-(2-oxobutoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 167464435
20-[[(1S)-1-carboxy-4-oxo-4-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]butyl]amino]-20-oxoicosanoic acid
CID 88960125
(E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide
CID 167491660
2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 138726748
[2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate
CID 157417113
1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 89328911

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide?
The IUPAC name of (E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide (CID 138726688) is (E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide.
What is the SMILES notation for (E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide?
The canonical SMILES for (E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide is CCC(=O)COCCOCCOCCNC(=O)/C=C/C(C)C.
What is the InChIKey of (E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide?
The InChIKey is BHZFSMZVRSWVKF-AATRIKPKSA-N. The full InChI is InChI=1S/C16H29NO5/c1-4-15(18)13-22-12-11-21-10-9-20-8-7-17-16(19)6-5-14(2)3/h5-6,14H,4,7-13H2,1-3H3,(H,17,19)/b6-5+.
What are the key properties of (E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide?
(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide has a molecular weight of 315.41 g/mol, XLogP of 1.34, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide is sourced from PubChem (CID 138726688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).