N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide

C12H23N3O7 — CID 144512345

IUPACN-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide
SMILESCCCCN(C(=O)NC(O)CO)C(=O)N(C(C)=O)C(O)CO
InChIInChI=1S/C12H23N3O7/c1-3-4-5-14(11(21)13-9(19)6-16)12(22)15(8(2)18)10(20)7-17/h9-10,16-17,19-20H,3-7H2,1-2H3,(H,13,21)
InChIKeyTVWJKVLTYBBPBR-UHFFFAOYSA-N
MW321.33 g/mol
LogP-1.61
Rot. Bonds7

About N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide

N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide (PubChem CID 144512345) has the molecular formula C12H23N3O7 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide.

Molecular Properties

Compound NameN-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide
PubChem CID144512345
Molecular FormulaC12H23N3O7
Molecular Weight321.33 g/mol
Exact Mass321.15
IUPAC NameN-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide
SMILESCCCCN(C(=O)NC(O)CO)C(=O)N(C(C)=O)C(O)CO
InChIInChI=1S/C12H23N3O7/c1-3-4-5-14(11(21)13-9(19)6-16)12(22)15(8(2)18)10(20)7-17/h9-10,16-17,19-20H,3-7H2,1-2H3,(H,13,21)
InChIKeyTVWJKVLTYBBPBR-UHFFFAOYSA-N
XLogP-1.61
TPSA150.64 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide 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

N'-butyl-N,N-bis(2-hydroxyethyl)urea
CID 18371210
1-Butyl-1,3-bis(2-hydroxyethyl)urea
CID 19966538
N-(2-hydroxybutyl)-N-[(2-hydroxypropylamino)methyl]acetamide
CID 21363030
N-(2-hydroxybutyl)-N-[(2-hydroxybutylamino)methyl]acetamide
CID 59095166
1,3-Dibutyl-1-(2-hydroxyethyl)urea
CID 60781151
N-(2-hydroxyethyl)-N-pyrrolidin-2-ylacetamide
CID 69101322
1,1-Dibutyl-3-(2-hydroxyethyl)urea
CID 87352405
1-[Bis(2-hydroxyethyl)amino]propylcarbamic acid
CID 88439487
N-(2-hydroxyethyl)-N-(2-hydroxyethylcarbamoyl)-2,2-dimethylpropanamide
CID 155348929
N-(2-hydroxyethyl)-N-[2-hydroxyethyl(2-hydroxyethylcarbamoyl)carbamoyl]acetamide
CID 164031546
1-Butyl-3-[1-(diethylamino)ethyl]-1-(2-hydroxyethyl)urea
CID 173394653
2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide
CID 174426848

Frequently Asked Questions

What is the IUPAC name of N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide?
The IUPAC name of N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide (CID 144512345) is N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide.
What is the SMILES notation for N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide?
The canonical SMILES for N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide is CCCCN(C(=O)NC(O)CO)C(=O)N(C(C)=O)C(O)CO.
What is the InChIKey of N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide?
The InChIKey is TVWJKVLTYBBPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O7/c1-3-4-5-14(11(21)13-9(19)6-16)12(22)15(8(2)18)10(20)7-17/h9-10,16-17,19-20H,3-7H2,1-2H3,(H,13,21).
What are the key properties of N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide?
N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide has a molecular weight of 321.33 g/mol, XLogP of -1.61, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(1,2-dihydroxyethylcarbamoyl)carbamoyl]-N-(1,2-dihydroxyethyl)acetamide is sourced from PubChem (CID 144512345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).