3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide

C19H29NO2 — CID 110316787

IUPAC3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(C(C(=O)NCC2CCCO2)C(C)C)cc1
InChIInChI=1S/C19H29NO2/c1-13(2)15-7-9-16(10-8-15)18(14(3)4)19(21)20-12-17-6-5-11-22-17/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3,(H,20,21)
InChIKeyDULZKMZTEFVPTL-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.84
Rot. Bonds6

About 3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide

3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide (PubChem CID 110316787) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide
PubChem CID110316787
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(C(C(=O)NCC2CCCO2)C(C)C)cc1
InChIInChI=1S/C19H29NO2/c1-13(2)15-7-9-16(10-8-15)18(14(3)4)19(21)20-12-17-6-5-11-22-17/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3,(H,20,21)
InChIKeyDULZKMZTEFVPTL-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide
CID 3955378
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
(3S)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7318082
2-cyano-N-(oxolan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 3118606
2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 110771074
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 60994062
(2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 894829
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride
CID 6462943

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide (CID 110316787) is 3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for 3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide is CC(C)c1ccc(C(C(=O)NCC2CCCO2)C(C)C)cc1.
What is the InChIKey of 3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide?
The InChIKey is DULZKMZTEFVPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-13(2)15-7-9-16(10-8-15)18(14(3)4)19(21)20-12-17-6-5-11-22-17/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3,(H,20,21).
What are the key properties of 3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide?
3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide has a molecular weight of 303.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 110316787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).