(2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide

C17H31NO3 — CID 10851560

IUPAC(2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide
SMILESCCCCCCCCCCCC(=O)[C@H]1O[C@H]1C(=O)N(C)C
InChIInChI=1S/C17H31NO3/c1-4-5-6-7-8-9-10-11-12-13-14(19)15-16(21-15)17(20)18(2)3/h15-16H,4-13H2,1-3H3/t15-,16-/m1/s1
InChIKeyVMPOWSJPZRKXRB-HZPDHXFCSA-N
MW297.44 g/mol
LogP3.33
Rot. Bonds12

About (2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide

(2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide (PubChem CID 10851560) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide
PubChem CID10851560
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name(2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide
SMILESCCCCCCCCCCCC(=O)[C@H]1O[C@H]1C(=O)N(C)C
InChIInChI=1S/C17H31NO3/c1-4-5-6-7-8-9-10-11-12-13-14(19)15-16(21-15)17(20)18(2)3/h15-16H,4-13H2,1-3H3/t15-,16-/m1/s1
InChIKeyVMPOWSJPZRKXRB-HZPDHXFCSA-N
XLogP3.33
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.33
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)-3-tetradecanoyloxirane-2-carboxamide
CID 10661749
(2R,3S)-N,N-dimethyl-3-tetradecanoyloxirane-2-carboxamide
CID 10687539
(2R,3S)-N,N-dimethyl-3-nonanoyloxirane-2-carboxamide
CID 10729717
(2R,3S)-N,N-dimethyl-3-pentanoyloxirane-2-carboxamide
CID 145949848
(2R,3S)-N,N-diethyl-3-nonanoyl-oxirane-2-carboxamide
CID 25268531
(2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide
CID 10638801
(2R,3S)-3-heptyl-N,N-di(propan-2-yl)oxirane-2-carboxamide
CID 11161536
[(2R,3S)-3-dodecyloxiran-2-yl]-morpholin-4-ylmethanone
CID 134928466
N,N-dimethyl-3-octadecanoyloxirane-2-carboxamide
CID 57874711

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide (CID 10851560) is (2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide is CCCCCCCCCCCC(=O)[C@H]1O[C@H]1C(=O)N(C)C.
What is the InChIKey of (2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide?
The InChIKey is VMPOWSJPZRKXRB-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H31NO3/c1-4-5-6-7-8-9-10-11-12-13-14(19)15-16(21-15)17(20)18(2)3/h15-16H,4-13H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of (2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide?
(2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 3.33, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-dodecanoyl-N,N-dimethyloxirane-2-carboxamide is sourced from PubChem (CID 10851560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).