N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide

C20H25N3O3 — CID 54812332

IUPACN-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-20(2,3)23-19(25)14-5-7-16(8-6-14)22-18(24)13-21-15-9-11-17(26-4)12-10-15/h5-12,21H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyKDANXABKZDSGKE-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.27
Rot. Bonds6

About N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide

N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide (PubChem CID 54812332) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
PubChem CID54812332
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-20(2,3)23-19(25)14-5-7-16(8-6-14)22-18(24)13-21-15-9-11-17(26-4)12-10-15/h5-12,21H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyKDANXABKZDSGKE-UHFFFAOYSA-N
XLogP3.27
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834708
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 31699865
4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9083988
2-(tert-butylamino)-N-(4-methoxyphenyl)acetamide
CID 27149891
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376
N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide
CID 31699354
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834565

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide (CID 54812332) is N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide is COc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide?
The InChIKey is KDANXABKZDSGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-20(2,3)23-19(25)14-5-7-16(8-6-14)22-18(24)13-21-15-9-11-17(26-4)12-10-15/h5-12,21H,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide?
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54812332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).