(2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide

C16H29NO3 — CID 25268531

IUPAC(2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide
SMILESCCCCCCCCC(=O)[C@H]1O[C@H]1C(=O)N(CC)CC
InChIInChI=1S/C16H29NO3/c1-4-7-8-9-10-11-12-13(18)14-15(20-14)16(19)17(5-2)6-3/h14-15H,4-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyPWTXSHWCTOJQRP-HUUCEWRRSA-N
MW283.41 g/mol
LogP2.94
Rot. Bonds11

About (2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide

(2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide (PubChem CID 25268531) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide
PubChem CID25268531
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide
SMILESCCCCCCCCC(=O)[C@H]1O[C@H]1C(=O)N(CC)CC
InChIInChI=1S/C16H29NO3/c1-4-7-8-9-10-11-12-13(18)14-15(20-14)16(19)17(5-2)6-3/h14-15H,4-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyPWTXSHWCTOJQRP-HUUCEWRRSA-N
XLogP2.94
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-decanoyl-N,N-dimethyloxirane-2-carboxamide
CID 10539932
(2R,3S)-3-hexadecanoyl-N,N-dimethyloxirane-2-carboxamide
CID 10546023
(2R,3S)-N,N-dimethyl-3-octadecanoyloxirane-2-carboxamide
CID 10619863
(2R,3S)-N,N-dimethyl-3-tetradecanoyloxirane-2-carboxamide
CID 10687539
(2R,3S)-N,N-dimethyl-3-nonanoyloxirane-2-carboxamide
CID 10729717
(2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide
CID 10851560
(2R,3S)-N,N-dimethyl-3-pentanoyloxirane-2-carboxamide
CID 145949848
(2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide
CID 10638801
N,N,N',N'-tetrakis-2-ethylhexyldiglycolamide
CID 87410782
N,N-di-2-ethylhexyl-N',N'-di-octyl-3-oxa-pentane-1,5-diamide
CID 134822530
(2R,3S)-3-heptyl-N,N-di(propan-2-yl)oxirane-2-carboxamide
CID 11161536
(2R,3S)-N,N-diethyl-3-heptyl-2-methyloxirane-2-carboxamide
CID 12135815

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide (CID 25268531) is (2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide is CCCCCCCCC(=O)[C@H]1O[C@H]1C(=O)N(CC)CC.
What is the InChIKey of (2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide?
The InChIKey is PWTXSHWCTOJQRP-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-7-8-9-10-11-12-13(18)14-15(20-14)16(19)17(5-2)6-3/h14-15H,4-12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide?
(2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide has a molecular weight of 283.41 g/mol, XLogP of 2.94, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,N-diethyl-3-nonanoyloxirane-2-carboxamide is sourced from PubChem (CID 25268531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).