2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide

C15H21N3O3 — CID 26526540

IUPAC2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide
SMILESCC(=O)c1ccccc1NCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C15H21N3O3/c1-10(19)11-7-5-6-8-12(11)16-9-13(20)17-14(21)18-15(2,3)4/h5-8,16H,9H2,1-4H3,(H2,17,18,20,21)
InChIKeyFQZGBTXKMDWKRH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.93
Rot. Bonds4

About 2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide

2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide (PubChem CID 26526540) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide
PubChem CID26526540
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide
SMILESCC(=O)c1ccccc1NCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C15H21N3O3/c1-10(19)11-7-5-6-8-12(11)16-9-13(20)17-14(21)18-15(2,3)4/h5-8,16H,9H2,1-4H3,(H2,17,18,20,21)
InChIKeyFQZGBTXKMDWKRH-UHFFFAOYSA-N
XLogP1.93
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(tert-butylcarbamoyl)-2-(2-phenylanilino)acetamide
CID 42068095
N-(tert-butylcarbamoyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]acetamide
CID 36864784
N-(tert-butylcarbamoyl)-2-(3-chloro-2-methylanilino)acetamide
CID 26507318
2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide
CID 36588357
2-(2-acetylanilino)-N-(4-tert-butylphenyl)acetamide
CID 9103726
2-(2-acetylanilino)acetic acid;methanamine
CID 69423543
N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 26509429
2-(2-acetylanilino)-N-(5-chloro-2-fluorophenyl)acetamide
CID 46633480
N-(tert-butylcarbamoyl)-2-(2-chloro-4-methylanilino)acetamide
CID 26507654
2-(2-acetylanilino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 75373937
2-(2-bromoanilino)-N-tert-butylacetamide
CID 28581046

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide (CID 26526540) is 2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide is CC(=O)c1ccccc1NCC(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of 2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is FQZGBTXKMDWKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(19)11-7-5-6-8-12(11)16-9-13(20)17-14(21)18-15(2,3)4/h5-8,16H,9H2,1-4H3,(H2,17,18,20,21).
What are the key properties of 2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide?
2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylanilino)-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 26526540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).