N-(acetamidomethyl)acetamide;benzene;propan-2-one

C14H22N2O3 — CID 90957295

IUPACN-(acetamidomethyl)acetamide;benzene;propan-2-one
SMILESCC(=O)NCNC(C)=O.CC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C5H10N2O2.C3H6O/c1-2-4-6-5-3-1;1-4(8)6-3-7-5(2)9;1-3(2)4/h1-6H;3H2,1-2H3,(H,6,8)(H,7,9);1-2H3
InChIKeyKRVATQQQIJKXJK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.50
Rot. Bonds2

About N-(acetamidomethyl)acetamide;benzene;propan-2-one

N-(acetamidomethyl)acetamide;benzene;propan-2-one (PubChem CID 90957295) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(acetamidomethyl)acetamide;benzene;propan-2-one.

Molecular Properties

Compound NameN-(acetamidomethyl)acetamide;benzene;propan-2-one
PubChem CID90957295
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(acetamidomethyl)acetamide;benzene;propan-2-one
SMILESCC(=O)NCNC(C)=O.CC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C5H10N2O2.C3H6O/c1-2-4-6-5-3-1;1-4(8)6-3-7-5(2)9;1-3(2)4/h1-6H;3H2,1-2H3,(H,6,8)(H,7,9);1-2H3
InChIKeyKRVATQQQIJKXJK-UHFFFAOYSA-N
XLogP1.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(acetamidomethyl)acetamide;benzene;propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzene;1,1-dimethyl-3-propan-2-ylurea
CID 20363267
Benzene;1-methyl-3-propan-2-ylurea
CID 20363277
N-Methylacetamide--benzene (1/1)
CID 22601179
benzene;ethane;N-methylacetamide
CID 54573873
N-(1-aminohexyl)acetamide;azane;benzene
CID 67788948
Benzene;1,3-dimethylurea;ethane
CID 90884129
benzene;N-(methylaminomethyl)acetamide;propan-2-one
CID 90888197
benzene;N-methylacetamide;methylurea;propane
CID 91073414
benzene;ethane;N-methylpropanamide
CID 91076691
benzene;ethane;N-(methylaminomethyl)acetamide
CID 91116107
benzene;ethane;methanamine;N-methylacetamide
CID 91203487
Benzene;ethane;1,1,3-trimethylurea
CID 91245695

Frequently Asked Questions

What is the IUPAC name of N-(acetamidomethyl)acetamide;benzene;propan-2-one?
The IUPAC name of N-(acetamidomethyl)acetamide;benzene;propan-2-one (CID 90957295) is N-(acetamidomethyl)acetamide;benzene;propan-2-one.
What is the SMILES notation for N-(acetamidomethyl)acetamide;benzene;propan-2-one?
The canonical SMILES for N-(acetamidomethyl)acetamide;benzene;propan-2-one is CC(=O)NCNC(C)=O.CC(C)=O.c1ccccc1.
What is the InChIKey of N-(acetamidomethyl)acetamide;benzene;propan-2-one?
The InChIKey is KRVATQQQIJKXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H10N2O2.C3H6O/c1-2-4-6-5-3-1;1-4(8)6-3-7-5(2)9;1-3(2)4/h1-6H;3H2,1-2H3,(H,6,8)(H,7,9);1-2H3.
What are the key properties of N-(acetamidomethyl)acetamide;benzene;propan-2-one?
N-(acetamidomethyl)acetamide;benzene;propan-2-one has a molecular weight of 266.34 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetamidomethyl)acetamide;benzene;propan-2-one is sourced from PubChem (CID 90957295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).