N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide

C22H42N4O2 — CID 87583374

IUPACN-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide
SMILESCC1(C)CC(C(CNC=O)(NC=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C22H42N4O2/c1-18(2)9-16(10-19(3,4)25-18)22(24-15-28,13-23-14-27)17-11-20(5,6)26-21(7,8)12-17/h14-17,25-26H,9-13H2,1-8H3,(H,23,27)(H,24,28)
InChIKeyWBSURVFUFUMDHY-UHFFFAOYSA-N
MW394.60 g/mol
LogP2.33
Rot. Bonds7

About N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide

N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide (PubChem CID 87583374) has the molecular formula C22H42N4O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide
PubChem CID87583374
Molecular FormulaC22H42N4O2
Molecular Weight394.60 g/mol
Exact Mass394.33
IUPAC NameN-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide
SMILESCC1(C)CC(C(CNC=O)(NC=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C22H42N4O2/c1-18(2)9-16(10-19(3,4)25-18)22(24-15-28,13-23-14-27)17-11-20(5,6)26-21(7,8)12-17/h14-17,25-26H,9-13H2,1-8H3,(H,23,27)(H,24,28)
InChIKeyWBSURVFUFUMDHY-UHFFFAOYSA-N
XLogP2.33
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide?
The IUPAC name of N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide (CID 87583374) is N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide.
What is the SMILES notation for N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide?
The canonical SMILES for N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide is CC1(C)CC(C(CNC=O)(NC=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide?
The InChIKey is WBSURVFUFUMDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O2/c1-18(2)9-16(10-19(3,4)25-18)22(24-15-28,13-23-14-27)17-11-20(5,6)26-21(7,8)12-17/h14-17,25-26H,9-13H2,1-8H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide?
N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide has a molecular weight of 394.60 g/mol, XLogP of 2.33, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-formamido-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]formamide is sourced from PubChem (CID 87583374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).