N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide

C16H29NO2 — CID 14235828

IUPACN-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide
SMILESCCCCCC/C=C/C=C/C[C@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C16H29NO2/c1-4-5-6-7-8-9-10-11-12-13-16(19)14(2)17-15(3)18/h9-12,14,16,19H,4-8,13H2,1-3H3,(H,17,18)/b10-9+,12-11+/t14-,16-/m0/s1
InChIKeyBVQKCVQOUIZCRQ-RTSAYLDSSA-N
MW267.41 g/mol
LogP3.34
Rot. Bonds10

About N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide

N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide (PubChem CID 14235828) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide
PubChem CID14235828
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide
SMILESCCCCCC/C=C/C=C/C[C@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C16H29NO2/c1-4-5-6-7-8-9-10-11-12-13-16(19)14(2)17-15(3)18/h9-12,14,16,19H,4-8,13H2,1-3H3,(H,17,18)/b10-9+,12-11+/t14-,16-/m0/s1
InChIKeyBVQKCVQOUIZCRQ-RTSAYLDSSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide
CID 54753225
N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide
CID 54753229
(9Z,11E)-N-(3-oxobutan-2-yl)octadeca-9,11-dienamide
CID 158414740
2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid
CID 101278080
tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913
N-[(E)-dec-1-enyl]acetamide
CID 87894534
nonadeca-9,11-dien-2-one
CID 76564066
nonadeca-11,13-dien-2-one
CID 72744637
(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
pentadeca-3,5,7-trien-2-one
CID 91106763
(22E)-heptatetraconta-22,24-diene
CID 56629131
N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
CID 10759678

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide?
The IUPAC name of N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide (CID 14235828) is N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide?
The canonical SMILES for N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide is CCCCCC/C=C/C=C/C[C@H](O)[C@H](C)NC(C)=O.
What is the InChIKey of N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide?
The InChIKey is BVQKCVQOUIZCRQ-RTSAYLDSSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-5-6-7-8-9-10-11-12-13-16(19)14(2)17-15(3)18/h9-12,14,16,19H,4-8,13H2,1-3H3,(H,17,18)/b10-9+,12-11+/t14-,16-/m0/s1.
What are the key properties of N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide?
N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide has a molecular weight of 267.41 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide is sourced from PubChem (CID 14235828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).