N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide

C14H25NO2 — CID 164672103

IUPACN-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide
SMILESC=CCO[C@@H](CCCCC)[C@@H](C=C)NC(C)=O
InChIInChI=1S/C14H25NO2/c1-5-8-9-10-14(17-11-6-2)13(7-3)15-12(4)16/h6-7,13-14H,2-3,5,8-11H2,1,4H3,(H,15,16)/t13-,14+/m1/s1
InChIKeyCPLUNLUBQHPCAK-KGLIPLIRSA-N
MW239.36 g/mol
LogP2.83
Rot. Bonds10

About N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide

N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide (PubChem CID 164672103) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide
PubChem CID164672103
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide
SMILESC=CCO[C@@H](CCCCC)[C@@H](C=C)NC(C)=O
InChIInChI=1S/C14H25NO2/c1-5-8-9-10-14(17-11-6-2)13(7-3)15-12(4)16/h6-7,13-14H,2-3,5,8-11H2,1,4H3,(H,15,16)/t13-,14+/m1/s1
InChIKeyCPLUNLUBQHPCAK-KGLIPLIRSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diacetyl Halaminol A
CID 10968962
2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide
CID 164672156
N-[(3R,4S)-4-(2-hydroxyethoxy)non-1-en-3-yl]acetamide
CID 164672104
N-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide
CID 164672158
N-[(1R)-1-[(2S)-oxolan-2-yl]prop-2-enyl]acetamide
CID 164672188
[(2S,3R)-2-acetamidohexadec-15-en-3-yl] acetate
CID 10807027
N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide
CID 59076544
N-[(1R,2R)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 68388014
N-(2-ethoxycyclooct-3-en-1-yl)acetamide
CID 123693476
2-dec-1-en-3-yloxy-N-pentylacetamide
CID 139308647
[(2S,3R)-2-acetamidododec-11-en-3-yl] acetate
CID 10902114
2-Acetamidohexadec-15-en-3-yl acetate
CID 85274427

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide?
The IUPAC name of N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide (CID 164672103) is N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide is C=CCO[C@@H](CCCCC)[C@@H](C=C)NC(C)=O.
What is the InChIKey of N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide?
The InChIKey is CPLUNLUBQHPCAK-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-8-9-10-14(17-11-6-2)13(7-3)15-12(4)16/h6-7,13-14H,2-3,5,8-11H2,1,4H3,(H,15,16)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide?
N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide has a molecular weight of 239.36 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide is sourced from PubChem (CID 164672103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).