(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide

C19H29NO2 — CID 154756403

IUPAC(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H](C)CCO1
InChIInChI=1S/C19H29NO2/c1-12(2)15-7-6-8-16(13(3)4)18(15)20-19(21)17-11-14(5)9-10-22-17/h6-8,12-14,17H,9-11H2,1-5H3,(H,20,21)/t14-,17-/m0/s1
InChIKeyDPIJZEOLYFZXHU-YOEHRIQHSA-N
MW303.45 g/mol
LogP4.69
Rot. Bonds4

About (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide

(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide (PubChem CID 154756403) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide
PubChem CID154756403
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H](C)CCO1
InChIInChI=1S/C19H29NO2/c1-12(2)15-7-6-8-16(13(3)4)18(15)20-19(21)17-11-14(5)9-10-22-17/h6-8,12-14,17H,9-11H2,1-5H3,(H,20,21)/t14-,17-/m0/s1
InChIKeyDPIJZEOLYFZXHU-YOEHRIQHSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
2-N-cyclopropyl-1-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130984
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120616178
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8931075
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
N-[2,6-di(propan-2-yl)phenyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108986491
1-N-cyclopropyl-1-N'-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108970749
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734
1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109131764

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide?
The IUPAC name of (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide (CID 154756403) is (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H](C)CCO1.
What is the InChIKey of (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide?
The InChIKey is DPIJZEOLYFZXHU-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H29NO2/c1-12(2)15-7-6-8-16(13(3)4)18(15)20-19(21)17-11-14(5)9-10-22-17/h6-8,12-14,17H,9-11H2,1-5H3,(H,20,21)/t14-,17-/m0/s1.
What are the key properties of (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide?
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-4-methyloxane-2-carboxamide is sourced from PubChem (CID 154756403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).