(3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide

C14H28N2O3 — CID 95905046

IUPAC(3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCOCC[C@@H](C)NC(=O)N1CCOC[C@H]1CC(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)9-13-10-19-8-6-16(13)14(17)15-12(3)5-7-18-4/h11-13H,5-10H2,1-4H3,(H,15,17)/t12-,13-/m1/s1
InChIKeyKPSBSPVWQVUNRN-CHWSQXEVSA-N
MW272.39 g/mol
LogP1.87
Rot. Bonds6

About (3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide

(3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide (PubChem CID 95905046) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is (3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
PubChem CID95905046
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name(3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCOCC[C@@H](C)NC(=O)N1CCOC[C@H]1CC(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)9-13-10-19-8-6-16(13)14(17)15-12(3)5-7-18-4/h11-13H,5-10H2,1-4H3,(H,15,17)/t12-,13-/m1/s1
InChIKeyKPSBSPVWQVUNRN-CHWSQXEVSA-N
XLogP1.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The IUPAC name of (3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide (CID 95905046) is (3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide is COCC[C@@H](C)NC(=O)N1CCOC[C@H]1CC(C)C.
What is the InChIKey of (3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The InChIKey is KPSBSPVWQVUNRN-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)9-13-10-19-8-6-16(13)14(17)15-12(3)5-7-18-4/h11-13H,5-10H2,1-4H3,(H,15,17)/t12-,13-/m1/s1.
What are the key properties of (3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide?
(3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-4-methoxybutan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 95905046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).