N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide

C19H23N3O — CID 135440609

IUPACN-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(N)=N/c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23N3O/c1-13-5-7-14(8-6-13)17(23)22-18(20)21-16-11-9-15(10-12-16)19(2,3)4/h5-12H,1-4H3,(H3,20,21,22,23)
InChIKeyADVFDEDGWRJDRN-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.67
Rot. Bonds2

About N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide

N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide (PubChem CID 135440609) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide
PubChem CID135440609
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/C(N)=N/c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H23N3O/c1-13-5-7-14(8-6-13)17(23)22-18(20)21-16-11-9-15(10-12-16)19(2,3)4/h5-12H,1-4H3,(H3,20,21,22,23)
InChIKeyADVFDEDGWRJDRN-UHFFFAOYSA-N
XLogP3.67
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[N'-(4-methylphenyl)carbamimidoyl]urea
CID 135406039
N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide
CID 135960418
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
CID 7696392
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide
CID 163690008
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
(4-methylbenzoyl)carbamic acid
CID 89120559
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863
azane;2-(4-methylphenyl)guanidine
CID 172751004
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 118357502

Frequently Asked Questions

What is the IUPAC name of N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide?
The IUPAC name of N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide (CID 135440609) is N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide.
What is the SMILES notation for N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide?
The canonical SMILES for N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide is Cc1ccc(C(=O)N/C(N)=N/c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide?
The InChIKey is ADVFDEDGWRJDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13-5-7-14(8-6-13)17(23)22-18(20)21-16-11-9-15(10-12-16)19(2,3)4/h5-12H,1-4H3,(H3,20,21,22,23).
What are the key properties of N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide?
N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide has a molecular weight of 309.41 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(4-tert-butylphenyl)carbamimidoyl]-4-methylbenzamide is sourced from PubChem (CID 135440609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).