N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide

C20H25NO2 — CID 35214292

IUPACN-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(C)cc2)C(C)(C)C)cc1
InChIInChI=1S/C20H25NO2/c1-15-6-8-16(9-7-15)14-21(20(2,3)4)19(22)17-10-12-18(23-5)13-11-17/h6-13H,14H2,1-5H3
InChIKeyJYROUCGXRCTQNA-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.44
Rot. Bonds4

About N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide

N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 35214292) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
PubChem CID35214292
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(C)cc2)C(C)(C)C)cc1
InChIInChI=1S/C20H25NO2/c1-15-6-8-16(9-7-15)14-21(20(2,3)4)19(22)17-10-12-18(23-5)13-11-17/h6-13H,14H2,1-5H3
InChIKeyJYROUCGXRCTQNA-UHFFFAOYSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 8991195
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 42724439
4-[[carbamoyl-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 67078697
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345553
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-tert-butyl-4-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814002

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide (CID 35214292) is N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide is COc1ccc(C(=O)N(Cc2ccc(C)cc2)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is JYROUCGXRCTQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-6-8-16(9-7-15)14-21(20(2,3)4)19(22)17-10-12-18(23-5)13-11-17/h6-13H,14H2,1-5H3.
What are the key properties of N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide?
N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 311.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 35214292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).