N-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide

C11H18N10O3 — CID 166390446

IUPACN-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCC(O)CN(CCNC(=O)Cn1cnnn1)C(=O)Cn1cnnn1
InChIInChI=1S/C11H18N10O3/c1-9(22)4-19(11(24)6-21-8-14-16-18-21)3-2-12-10(23)5-20-7-13-15-17-20/h7-9,22H,2-6H2,1H3,(H,12,23)
InChIKeyOHOFYKGJXIPJPH-UHFFFAOYSA-N
MW338.33 g/mol
LogP-3.31
Rot. Bonds9

About N-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide

N-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 166390446) has the molecular formula C11H18N10O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID166390446
Molecular FormulaC11H18N10O3
Molecular Weight338.33 g/mol
Exact Mass338.16
IUPAC NameN-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCC(O)CN(CCNC(=O)Cn1cnnn1)C(=O)Cn1cnnn1
InChIInChI=1S/C11H18N10O3/c1-9(22)4-19(11(24)6-21-8-14-16-18-21)3-2-12-10(23)5-20-7-13-15-17-20/h7-9,22H,2-6H2,1H3,(H,12,23)
InChIKeyOHOFYKGJXIPJPH-UHFFFAOYSA-N
XLogP-3.31
TPSA156.84 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 5-3.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide (CID 166390446) is N-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide is CC(O)CN(CCNC(=O)Cn1cnnn1)C(=O)Cn1cnnn1.
What is the InChIKey of N-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is OHOFYKGJXIPJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N10O3/c1-9(22)4-19(11(24)6-21-8-14-16-18-21)3-2-12-10(23)5-20-7-13-15-17-20/h7-9,22H,2-6H2,1H3,(H,12,23).
What are the key properties of N-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide?
N-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 338.33 g/mol, XLogP of -3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxypropyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 166390446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).