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

C26H44N4O4 — CID 158255088

IUPACN-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one
SMILESCC.CC(=O)NCNC(C)=O.CC(C)=O.CNCNC(C)=O.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C5H10N2O2.C4H10N2O.C3H6O.C2H6/c2*1-2-4-6-5-3-1;1-4(8)6-3-7-5(2)9;1-4(7)6-3-5-2;1-3(2)4;1-2/h2*1-6H;3H2,1-2H3,(H,6,8)(H,7,9);5H,3H2,1-2H3,(H,6,7);1-2H3;1-2H3
InChIKeyGHEMHFSAQWPASJ-UHFFFAOYSA-N
MW476.66 g/mol
LogP3.51
Rot. Bonds4

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

N-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one (PubChem CID 158255088) has the molecular formula C26H44N4O4 and a molecular weight of 476.66 g/mol. Its IUPAC name is N-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one.

Molecular Properties

Compound NameN-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one
PubChem CID158255088
Molecular FormulaC26H44N4O4
Molecular Weight476.66 g/mol
Exact Mass476.34
IUPAC NameN-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one
SMILESCC.CC(=O)NCNC(C)=O.CC(C)=O.CNCNC(C)=O.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C5H10N2O2.C4H10N2O.C3H6O.C2H6/c2*1-2-4-6-5-3-1;1-4(8)6-3-7-5(2)9;1-4(7)6-3-5-2;1-3(2)4;1-2/h2*1-6H;3H2,1-2H3,(H,6,8)(H,7,9);5H,3H2,1-2H3,(H,6,7);1-2H3;1-2H3
InChIKeyGHEMHFSAQWPASJ-UHFFFAOYSA-N
XLogP3.51
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.66
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;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;N-(methylaminomethyl)acetamide;propan-2-one
CID 90888197
N-(acetamidomethyl)acetamide;benzene;propan-2-one
CID 90957295
Benzene;1,3-dimethylurea;ethane
CID 91039129
Benzene;bis(1,3-dimethylurea);propane
CID 91073324
benzene;N-methylacetamide;methylurea;propane
CID 91073414
benzene;ethane;N-(methylaminomethyl)acetamide
CID 91116107
Benzene;1,3-diethylurea;ethane
CID 91153221
benzene;bis(N-methylacetamide);propane
CID 91325802
benzene;butan-2-one;N-ethylpropanamide;methane;N-methylethanamine;pentan-3-one;propane;propan-2-one
CID 157142708
N-(aminomethyl)acetamide;benzene;ethane;N-ethylacetamide
CID 157325974
Benzene;bis(1,3-diethylurea);ethane
CID 157658998
N-(aminomethyl)acetamide;benzene
CID 157709055

Frequently Asked Questions

What is the IUPAC name of N-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one?
The IUPAC name of N-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one (CID 158255088) is N-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one.
What is the SMILES notation for N-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one?
The canonical SMILES for N-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one is CC.CC(=O)NCNC(C)=O.CC(C)=O.CNCNC(C)=O.c1ccccc1.c1ccccc1.
What is the InChIKey of N-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one?
The InChIKey is GHEMHFSAQWPASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.C5H10N2O2.C4H10N2O.C3H6O.C2H6/c2*1-2-4-6-5-3-1;1-4(8)6-3-7-5(2)9;1-4(7)6-3-5-2;1-3(2)4;1-2/h2*1-6H;3H2,1-2H3,(H,6,8)(H,7,9);5H,3H2,1-2H3,(H,6,7);1-2H3;1-2H3.
What are the key properties of N-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one?
N-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one has a molecular weight of 476.66 g/mol, XLogP of 3.51, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetamidomethyl)acetamide;benzene;ethane;N-(methylaminomethyl)acetamide;propan-2-one is sourced from PubChem (CID 158255088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).