N-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide

C18H25NO2 — CID 154712973

IUPACN-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide
SMILESCC1=C(C)CC(c2ccc(C(=O)NC(C)(C)C)cc2)OC1
InChIInChI=1S/C18H25NO2/c1-12-10-16(21-11-13(12)2)14-6-8-15(9-7-14)17(20)19-18(3,4)5/h6-9,16H,10-11H2,1-5H3,(H,19,20)
InChIKeyAQEDMJGSHJDQSF-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.01
Rot. Bonds2

About N-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide

N-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide (PubChem CID 154712973) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide
PubChem CID154712973
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide
SMILESCC1=C(C)CC(c2ccc(C(=O)NC(C)(C)C)cc2)OC1
InChIInChI=1S/C18H25NO2/c1-12-10-16(21-11-13(12)2)14-6-8-15(9-7-14)17(20)19-18(3,4)5/h6-9,16H,10-11H2,1-5H3,(H,19,20)
InChIKeyAQEDMJGSHJDQSF-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
CID 81781
N-isopropyl-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 891620
2,2,6,6-Tetramethyl-4-piperidyl benzoate
CID 579967
Ethyl 4-{[(4-methylbenzyl)amino]methyl}benzoate
CID 5019647
Ethyl 4-[(benzylamino)methyl]benzoate
CID 5053991
3,3-Dimethylbutan-2-yl 4-(cyclopropylmethylcarbamoyl)benzoate
CID 44532176
N-isopropyl-4-[(2,2,3,3-tetrafluoropropoxy)methyl]benzamide
CID 842473
[2-(Tert-butylamino)-2-oxo-1-phenylethyl] benzoate
CID 102255833
methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate
CID 3247412
methyl 4-[[(E)-1-phenylhept-2-enyl]carbamoyl]benzoate
CID 5771790
methyl 4-[(E)-1-[(4-methoxycarbonylbenzoyl)amino]-2-propylhex-2-enyl]benzoate
CID 5771796
methyl 4-[(E)-1-[(2-phenylacetyl)amino]-2-propylhex-2-enyl]benzoate
CID 5771797

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide?
The IUPAC name of N-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide (CID 154712973) is N-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide.
What is the SMILES notation for N-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide?
The canonical SMILES for N-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide is CC1=C(C)CC(c2ccc(C(=O)NC(C)(C)C)cc2)OC1.
What is the InChIKey of N-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide?
The InChIKey is AQEDMJGSHJDQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12-10-16(21-11-13(12)2)14-6-8-15(9-7-14)17(20)19-18(3,4)5/h6-9,16H,10-11H2,1-5H3,(H,19,20).
What are the key properties of N-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide?
N-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide has a molecular weight of 287.40 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)benzamide is sourced from PubChem (CID 154712973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).