4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide

C19H23N3O2 — CID 119738238

IUPAC4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-4-19(2,3)22-18(24)14-7-11-16(12-8-14)21-17(23)13-5-9-15(20)10-6-13/h5-12H,4,20H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyIKAPAIHPLUSBBM-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.44
Rot. Bonds5

About 4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide

4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 119738238) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID119738238
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-4-19(2,3)22-18(24)14-7-11-16(12-8-14)21-17(23)13-5-9-15(20)10-6-13/h5-12H,4,20H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyIKAPAIHPLUSBBM-UHFFFAOYSA-N
XLogP3.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-[(2-aminoacetyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297460
3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 99193425
3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55891061
3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55892094
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 51189018
2-methyl-3-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-3-oxopropanoic acid
CID 122065354
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 60533340
4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane
CID 145495797
4-[(1-aminocyclohexanecarbonyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297478
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 120667626
2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119181827

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide (CID 119738238) is 4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is IKAPAIHPLUSBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-19(2,3)22-18(24)14-7-11-16(12-8-14)21-17(23)13-5-9-15(20)10-6-13/h5-12H,4,20H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide?
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 119738238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).