(E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide

C14H23NO3 — CID 170599713

IUPAC(E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide
SMILESC/C=C(C(=O)NC1(CO)CCOCC1)/C(C)=C/C
InChIInChI=1S/C14H23NO3/c1-4-11(3)12(5-2)13(17)15-14(10-16)6-8-18-9-7-14/h4-5,16H,6-10H2,1-3H3,(H,15,17)/b11-4+,12-5-
InChIKeyFWLRHBQSZCVADN-ZLSVCEQOSA-N
MW253.34 g/mol
LogP1.56
Rot. Bonds4

About (E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide

(E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide (PubChem CID 170599713) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide.

Molecular Properties

Compound Name(E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide
PubChem CID170599713
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide
SMILESC/C=C(C(=O)NC1(CO)CCOCC1)/C(C)=C/C
InChIInChI=1S/C14H23NO3/c1-4-11(3)12(5-2)13(17)15-14(10-16)6-8-18-9-7-14/h4-5,16H,6-10H2,1-3H3,(H,15,17)/b11-4+,12-5-
InChIKeyFWLRHBQSZCVADN-ZLSVCEQOSA-N
XLogP1.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
2-(azetidin-3-ylidene)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 114170218
N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide
CID 139551842
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
CID 104630361
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
5-[[4-(hydroxymethyl)oxan-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114169999
N-[4-(hydroxymethyl)oxan-4-yl]-4-methylpiperidine-4-carboxamide
CID 106298831
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide
CID 106298541
7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide
CID 106298777
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylsulfonylpropanamide
CID 104630382

Frequently Asked Questions

What is the IUPAC name of (E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide?
The IUPAC name of (E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide (CID 170599713) is (E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide.
What is the SMILES notation for (E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide?
The canonical SMILES for (E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide is C/C=C(C(=O)NC1(CO)CCOCC1)/C(C)=C/C.
What is the InChIKey of (E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide?
The InChIKey is FWLRHBQSZCVADN-ZLSVCEQOSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-11(3)12(5-2)13(17)15-14(10-16)6-8-18-9-7-14/h4-5,16H,6-10H2,1-3H3,(H,15,17)/b11-4+,12-5-.
What are the key properties of (E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide?
(E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide has a molecular weight of 253.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-2-ethylidene-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylpent-3-enamide is sourced from PubChem (CID 170599713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).