N-[(acetamidomethylamino)methyl]acetamide

C6H13N3O2 — CID 19360940

IUPACN-[(acetamidomethylamino)methyl]acetamide
SMILESCC(=O)NCNCNC(C)=O
InChIInChI=1S/C6H13N3O2/c1-5(10)8-3-7-4-9-6(2)11/h7H,3-4H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyIWEGPIDWRVBFSW-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.24
Rot. Bonds4

About N-[(acetamidomethylamino)methyl]acetamide

N-[(acetamidomethylamino)methyl]acetamide (PubChem CID 19360940) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-[(acetamidomethylamino)methyl]acetamide.

Molecular Properties

Compound NameN-[(acetamidomethylamino)methyl]acetamide
PubChem CID19360940
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN-[(acetamidomethylamino)methyl]acetamide
SMILESCC(=O)NCNCNC(C)=O
InChIInChI=1S/C6H13N3O2/c1-5(10)8-3-7-4-9-6(2)11/h7H,3-4H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyIWEGPIDWRVBFSW-UHFFFAOYSA-N
XLogP-1.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(acetamidomethylamino)methyl]acetamide?
The IUPAC name of N-[(acetamidomethylamino)methyl]acetamide (CID 19360940) is N-[(acetamidomethylamino)methyl]acetamide.
What is the SMILES notation for N-[(acetamidomethylamino)methyl]acetamide?
The canonical SMILES for N-[(acetamidomethylamino)methyl]acetamide is CC(=O)NCNCNC(C)=O.
What is the InChIKey of N-[(acetamidomethylamino)methyl]acetamide?
The InChIKey is IWEGPIDWRVBFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-5(10)8-3-7-4-9-6(2)11/h7H,3-4H2,1-2H3,(H,8,10)(H,9,11).
What are the key properties of N-[(acetamidomethylamino)methyl]acetamide?
N-[(acetamidomethylamino)methyl]acetamide has a molecular weight of 159.19 g/mol, XLogP of -1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(acetamidomethylamino)methyl]acetamide is sourced from PubChem (CID 19360940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).