N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide

C19H23N3O2 — CID 108884825

IUPACN-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
SMILESCC(=O)N(C(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(N)c1
InChIInChI=1S/C19H23N3O2/c1-13(23)22(17-7-5-6-15(20)12-17)18(24)21-16-10-8-14(9-11-16)19(2,3)4/h5-12H,20H2,1-4H3,(H,21,24)
InChIKeyKOYKROUGCUGFFO-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.15
Rot. Bonds2

About N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide

N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide (PubChem CID 108884825) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
PubChem CID108884825
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
SMILESCC(=O)N(C(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(N)c1
InChIInChI=1S/C19H23N3O2/c1-13(23)22(17-7-5-6-15(20)12-17)18(24)21-16-10-8-14(9-11-16)19(2,3)4/h5-12H,20H2,1-4H3,(H,21,24)
InChIKeyKOYKROUGCUGFFO-UHFFFAOYSA-N
XLogP4.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895501
N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide
CID 108871858
N-(3-aminophenyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
CID 108873346
N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide
CID 108868989
N-(3-aminophenyl)-N-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
CID 108874092
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
CID 108894693
N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide
CID 108526505
N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884864
N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899099
N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108526521
3-N-(4-tert-butylphenyl)-3-N-methylbenzene-1,3-diamine
CID 117028859

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide?
The IUPAC name of N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide (CID 108884825) is N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide?
The canonical SMILES for N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide is CC(=O)N(C(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide?
The InChIKey is KOYKROUGCUGFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(23)22(17-7-5-6-15(20)12-17)18(24)21-16-10-8-14(9-11-16)19(2,3)4/h5-12H,20H2,1-4H3,(H,21,24).
What are the key properties of N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide?
N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide has a molecular weight of 325.41 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 108884825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).