tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate

C20H23NO3 — CID 155465071

IUPACtert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate
SMILESCc1ccc(C(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C20H23NO3/c1-14-9-11-15(12-10-14)18(22)16-7-6-8-17(13-16)21(5)19(23)24-20(2,3)4/h6-13H,1-5H3
InChIKeyJIUHWNZSRUCGKB-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.60
Rot. Bonds3

About tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate

tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate (PubChem CID 155465071) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate
PubChem CID155465071
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nametert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate
SMILESCc1ccc(C(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C20H23NO3/c1-14-9-11-15(12-10-14)18(22)16-7-6-8-17(13-16)21(5)19(23)24-20(2,3)4/h6-13H,1-5H3
InChIKeyJIUHWNZSRUCGKB-UHFFFAOYSA-N
XLogP4.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497
methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid
CID 67683121
[3-[3-(4-methyl-N-(4-methylphenyl)anilino)benzoyl]phenyl]-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methanone
CID 58084709
3-(N,4-dimethylanilino)benzoic acid
CID 102822798
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
1-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethanesulfinic acid
CID 68585601
tert-butyl N,N-bis(4-methylphenyl)carbamate
CID 139528055
tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 174502211
[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
CID 105080904
tert-butyl 3-[amino(methyl)amino]benzoate
CID 151677747
tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate
CID 159361454
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate (CID 155465071) is tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate is Cc1ccc(C(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)cc1.
What is the InChIKey of tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate?
The InChIKey is JIUHWNZSRUCGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-9-11-15(12-10-14)18(22)16-7-6-8-17(13-16)21(5)19(23)24-20(2,3)4/h6-13H,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate?
tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate is sourced from PubChem (CID 155465071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).