N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide

C16H23NO3 — CID 110776693

IUPACN-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCO2)cc1C(C)(C)C
InChIInChI=1S/C16H23NO3/c1-16(2,3)12-10-11(7-8-13(12)19-4)17-15(18)14-6-5-9-20-14/h7-8,10,14H,5-6,9H2,1-4H3,(H,17,18)
InChIKeySBLJOYBACCKMMP-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.11
Rot. Bonds3

About N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide

N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide (PubChem CID 110776693) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
PubChem CID110776693
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCO2)cc1C(C)(C)C
InChIInChI=1S/C16H23NO3/c1-16(2,3)12-10-11(7-8-13(12)19-4)17-15(18)14-6-5-9-20-14/h7-8,10,14H,5-6,9H2,1-4H3,(H,17,18)
InChIKeySBLJOYBACCKMMP-UHFFFAOYSA-N
XLogP3.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 43212401
N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
CID 62215161
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 8800265
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate
CID 5305676
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781948
(2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 51936894
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]oxolane-2-carboxamide
CID 43007147

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide (CID 110776693) is N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide is COc1ccc(NC(=O)C2CCCO2)cc1C(C)(C)C.
What is the InChIKey of N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide?
The InChIKey is SBLJOYBACCKMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)12-10-11(7-8-13(12)19-4)17-15(18)14-6-5-9-20-14/h7-8,10,14H,5-6,9H2,1-4H3,(H,17,18).
What are the key properties of N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide?
N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 110776693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).