1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea

C14H30N4O4 — CID 56842804

IUPAC1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea
SMILESCN(CCO)C(=O)NCCCCCCNC(=O)N(C)CCO
InChIInChI=1S/C14H30N4O4/c1-17(9-11-19)13(21)15-7-5-3-4-6-8-16-14(22)18(2)10-12-20/h19-20H,3-12H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyAKNPWFZCZXNMDM-UHFFFAOYSA-N
MW318.42 g/mol
LogP-0.19
Rot. Bonds11

About 1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea

1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea (PubChem CID 56842804) has the molecular formula C14H30N4O4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea
PubChem CID56842804
Molecular FormulaC14H30N4O4
Molecular Weight318.42 g/mol
Exact Mass318.23
IUPAC Name1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea
SMILESCN(CCO)C(=O)NCCCCCCNC(=O)N(C)CCO
InChIInChI=1S/C14H30N4O4/c1-17(9-11-19)13(21)15-7-5-3-4-6-8-16-14(22)18(2)10-12-20/h19-20H,3-12H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyAKNPWFZCZXNMDM-UHFFFAOYSA-N
XLogP-0.19
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea (CID 56842804) is 1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea is CN(CCO)C(=O)NCCCCCCNC(=O)N(C)CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea?
The InChIKey is AKNPWFZCZXNMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O4/c1-17(9-11-19)13(21)15-7-5-3-4-6-8-16-14(22)18(2)10-12-20/h19-20H,3-12H2,1-2H3,(H,15,21)(H,16,22).
What are the key properties of 1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea?
1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea has a molecular weight of 318.42 g/mol, XLogP of -0.19, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea is sourced from PubChem (CID 56842804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).