(2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide

C15H27NO2 — CID 10610911

IUPAC(2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@H](C)[C@@H]1CCCCC1=O)C(C)C
InChIInChI=1S/C15H27NO2/c1-10(2)16(11(3)4)15(18)12(5)13-8-6-7-9-14(13)17/h10-13H,6-9H2,1-5H3/t12-,13+/m1/s1
InChIKeyFDGNBSJRKSKWOO-OLZOCXBDSA-N
MW253.39 g/mol
LogP3.03
Rot. Bonds4

About (2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide

(2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide (PubChem CID 10610911) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide
PubChem CID10610911
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@H](C)[C@@H]1CCCCC1=O)C(C)C
InChIInChI=1S/C15H27NO2/c1-10(2)16(11(3)4)15(18)12(5)13-8-6-7-9-14(13)17/h10-13H,6-9H2,1-5H3/t12-,13+/m1/s1
InChIKeyFDGNBSJRKSKWOO-OLZOCXBDSA-N
XLogP3.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide (CID 10610911) is (2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)[C@H](C)[C@@H]1CCCCC1=O)C(C)C.
What is the InChIKey of (2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide?
The InChIKey is FDGNBSJRKSKWOO-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)16(11(3)4)15(18)12(5)13-8-6-7-9-14(13)17/h10-13H,6-9H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of (2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide?
(2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide has a molecular weight of 253.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-2-oxocyclohexyl]-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 10610911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).