3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide

C14H27N3O6 — CID 167222154

IUPAC3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide
SMILESCC(C)(CO)NC(=O)CCOCC(COCCC(N)=O)NC=O
InChIInChI=1S/C14H27N3O6/c1-14(2,9-18)17-13(21)4-6-23-8-11(16-10-19)7-22-5-3-12(15)20/h10-11,18H,3-9H2,1-2H3,(H2,15,20)(H,16,19)(H,17,21)
InChIKeyLLJUKBUWCGKQRK-UHFFFAOYSA-N
MW333.39 g/mol
LogP-1.71
Rot. Bonds14

About 3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide

3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide (PubChem CID 167222154) has the molecular formula C14H27N3O6 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide.

Molecular Properties

Compound Name3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide
PubChem CID167222154
Molecular FormulaC14H27N3O6
Molecular Weight333.39 g/mol
Exact Mass333.19
IUPAC Name3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide
SMILESCC(C)(CO)NC(=O)CCOCC(COCCC(N)=O)NC=O
InChIInChI=1S/C14H27N3O6/c1-14(2,9-18)17-13(21)4-6-23-8-11(16-10-19)7-22-5-3-12(15)20/h10-11,18H,3-9H2,1-2H3,(H2,15,20)(H,16,19)(H,17,21)
InChIKeyLLJUKBUWCGKQRK-UHFFFAOYSA-N
XLogP-1.71
TPSA139.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide?
The IUPAC name of 3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide (CID 167222154) is 3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide.
What is the SMILES notation for 3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide?
The canonical SMILES for 3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide is CC(C)(CO)NC(=O)CCOCC(COCCC(N)=O)NC=O.
What is the InChIKey of 3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide?
The InChIKey is LLJUKBUWCGKQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O6/c1-14(2,9-18)17-13(21)4-6-23-8-11(16-10-19)7-22-5-3-12(15)20/h10-11,18H,3-9H2,1-2H3,(H2,15,20)(H,16,19)(H,17,21).
What are the key properties of 3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide?
3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide has a molecular weight of 333.39 g/mol, XLogP of -1.71, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-formamido-3-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropoxy]propoxy]propanamide is sourced from PubChem (CID 167222154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).