N-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide

C15H27NO2 — CID 164672158

IUPACN-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide
SMILESC=C[C@@H](NC(=O)C1CC1)[C@H](CCCCCC)OC
InChIInChI=1S/C15H27NO2/c1-4-6-7-8-9-14(18-3)13(5-2)16-15(17)12-10-11-12/h5,12-14H,2,4,6-11H2,1,3H3,(H,16,17)/t13-,14+/m1/s1
InChIKeyYCODLAKEBLVJKM-KGLIPLIRSA-N
MW253.39 g/mol
LogP3.05
Rot. Bonds10

About N-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide

N-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide (PubChem CID 164672158) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide
PubChem CID164672158
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide
SMILESC=C[C@@H](NC(=O)C1CC1)[C@H](CCCCCC)OC
InChIInChI=1S/C15H27NO2/c1-4-6-7-8-9-14(18-3)13(5-2)16-15(17)12-10-11-12/h5,12-14H,2,4,6-11H2,1,3H3,(H,16,17)/t13-,14+/m1/s1
InChIKeyYCODLAKEBLVJKM-KGLIPLIRSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.05
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

2-fluoro-N-[(3R,4S)-4-methoxydec-1-en-3-yl]acetamide
CID 164672156
N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide
CID 164672103
N-[(3S,4R)-4-hydroxynon-1-en-3-yl]cyclopropanecarboxamide
CID 166444146

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide (CID 164672158) is N-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide is C=C[C@@H](NC(=O)C1CC1)[C@H](CCCCCC)OC.
What is the InChIKey of N-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide?
The InChIKey is YCODLAKEBLVJKM-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-6-7-8-9-14(18-3)13(5-2)16-15(17)12-10-11-12/h5,12-14H,2,4,6-11H2,1,3H3,(H,16,17)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide?
N-[(3R,4S)-4-methoxydec-1-en-3-yl]cyclopropanecarboxamide has a molecular weight of 253.39 g/mol, XLogP of 3.05, 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-methoxydec-1-en-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164672158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).