N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide

C15H21N3O3 — CID 108500601

IUPACN'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide
SMILESCC(=O)N(CCN)C(=O)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H21N3O3/c1-10(2)12-6-4-5-7-13(12)17-14(20)15(21)18(9-8-16)11(3)19/h4-7,10H,8-9,16H2,1-3H3,(H,17,20)
InChIKeyXXPPMMYUESCULE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.08
Rot. Bonds4

About N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide

N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide (PubChem CID 108500601) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide
PubChem CID108500601
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide
SMILESCC(=O)N(CCN)C(=O)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H21N3O3/c1-10(2)12-6-4-5-7-13(12)17-14(20)15(21)18(9-8-16)11(3)19/h4-7,10H,8-9,16H2,1-3H3,(H,17,20)
InChIKeyXXPPMMYUESCULE-UHFFFAOYSA-N
XLogP1.08
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide
CID 108520470
N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide
CID 108500546
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500524
3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113135416
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
N-(2-propan-2-ylphenyl)ethanethioamide
CID 123184700
4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide
CID 81071847
2-(2-aminoethoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 79463489
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide?
The IUPAC name of N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide (CID 108500601) is N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide?
The canonical SMILES for N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide is CC(=O)N(CCN)C(=O)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide?
The InChIKey is XXPPMMYUESCULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)12-6-4-5-7-13(12)17-14(20)15(21)18(9-8-16)11(3)19/h4-7,10H,8-9,16H2,1-3H3,(H,17,20).
What are the key properties of N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide?
N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide has a molecular weight of 291.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 108500601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).