(1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C15H25NO3 — CID 98161223

IUPAC(1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCOC[C@@H](C)NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C
InChIInChI=1S/C15H25NO3/c1-10(9-19-5)16-12(18)15-7-6-14(4,11(17)8-15)13(15,2)3/h10H,6-9H2,1-5H3,(H,16,18)/t10-,14-,15-/m1/s1
InChIKeyDLFWTIZLQZDAOJ-VCTAVGKDSA-N
MW267.37 g/mol
LogP1.92
Rot. Bonds4

About (1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

(1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 98161223) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID98161223
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCOC[C@@H](C)NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C
InChIInChI=1S/C15H25NO3/c1-10(9-19-5)16-12(18)15-7-6-14(4,11(17)8-15)13(15,2)3/h10H,6-9H2,1-5H3,(H,16,18)/t10-,14-,15-/m1/s1
InChIKeyDLFWTIZLQZDAOJ-VCTAVGKDSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 98161223) is (1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is COC[C@@H](C)NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C.
What is the InChIKey of (1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is DLFWTIZLQZDAOJ-VCTAVGKDSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(9-19-5)16-12(18)15-7-6-14(4,11(17)8-15)13(15,2)3/h10H,6-9H2,1-5H3,(H,16,18)/t10-,14-,15-/m1/s1.
What are the key properties of (1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
(1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-N-[(2R)-1-methoxypropan-2-yl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 98161223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).