N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide

C15H29NO3 — CID 90969761

IUPACN-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide
SMILESCCCCCCCCC(=O)NC[C@H]1C[C@H](OC)CO1
InChIInChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-15(17)16-11-13-10-14(18-2)12-19-13/h13-14H,3-12H2,1-2H3,(H,16,17)/t13-,14+/m1/s1
InChIKeyRHPINIPHMSOHDS-KGLIPLIRSA-N
MW271.40 g/mol
LogP2.66
Rot. Bonds10

About N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide

N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide (PubChem CID 90969761) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide.

Molecular Properties

Compound NameN-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide
PubChem CID90969761
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide
SMILESCCCCCCCCC(=O)NC[C@H]1C[C@H](OC)CO1
InChIInChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-15(17)16-11-13-10-14(18-2)12-19-13/h13-14H,3-12H2,1-2H3,(H,16,17)/t13-,14+/m1/s1
InChIKeyRHPINIPHMSOHDS-KGLIPLIRSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 146656254
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N-[(3-hydroxycyclobutyl)methyl]dodecanamide
CID 66006246
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
N-(oxiran-2-ylmethyl)-8-sulfanyloctanamide
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N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
methyl (4R,4aS,8R,8aR)-8-[(decanoylamino)methyl]-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carboxylate
CID 177458175
N-[(3-chlorocyclopentyl)methyl]decanamide
CID 106126403
N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide
CID 143289321
N-(methoxymethyl)hexadecanamide
CID 59805196
2-[(2R,6R)-6-[(hexadecanoylamino)methyl]-4,4-dimethylmorpholin-4-ium-2-yl]acetic acid
CID 71450823

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide?
The IUPAC name of N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide (CID 90969761) is N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide.
What is the SMILES notation for N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide?
The canonical SMILES for N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide is CCCCCCCCC(=O)NC[C@H]1C[C@H](OC)CO1.
What is the InChIKey of N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide?
The InChIKey is RHPINIPHMSOHDS-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-15(17)16-11-13-10-14(18-2)12-19-13/h13-14H,3-12H2,1-2H3,(H,16,17)/t13-,14+/m1/s1.
What are the key properties of N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide?
N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide has a molecular weight of 271.40 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide is sourced from PubChem (CID 90969761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).