N-(4-formamido-2,4-dimethylpentan-2-yl)formamide

C9H18N2O2 — CID 19049742

IUPACN-(4-formamido-2,4-dimethylpentan-2-yl)formamide
SMILESCC(C)(CC(C)(C)NC=O)NC=O
InChIInChI=1S/C9H18N2O2/c1-8(2,10-6-12)5-9(3,4)11-7-13/h6-7H,5H2,1-4H3,(H,10,12)(H,11,13)
InChIKeyCNOUKMXQKUCYHJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.43
Rot. Bonds6

About N-(4-formamido-2,4-dimethylpentan-2-yl)formamide

N-(4-formamido-2,4-dimethylpentan-2-yl)formamide (PubChem CID 19049742) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(4-formamido-2,4-dimethylpentan-2-yl)formamide.

Molecular Properties

Compound NameN-(4-formamido-2,4-dimethylpentan-2-yl)formamide
PubChem CID19049742
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(4-formamido-2,4-dimethylpentan-2-yl)formamide
SMILESCC(C)(CC(C)(C)NC=O)NC=O
InChIInChI=1S/C9H18N2O2/c1-8(2,10-6-12)5-9(3,4)11-7-13/h6-7H,5H2,1-4H3,(H,10,12)(H,11,13)
InChIKeyCNOUKMXQKUCYHJ-UHFFFAOYSA-N
XLogP0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-formamido-2,4-dimethylpentan-2-yl)formamide?
The IUPAC name of N-(4-formamido-2,4-dimethylpentan-2-yl)formamide (CID 19049742) is N-(4-formamido-2,4-dimethylpentan-2-yl)formamide.
What is the SMILES notation for N-(4-formamido-2,4-dimethylpentan-2-yl)formamide?
The canonical SMILES for N-(4-formamido-2,4-dimethylpentan-2-yl)formamide is CC(C)(CC(C)(C)NC=O)NC=O.
What is the InChIKey of N-(4-formamido-2,4-dimethylpentan-2-yl)formamide?
The InChIKey is CNOUKMXQKUCYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(2,10-6-12)5-9(3,4)11-7-13/h6-7H,5H2,1-4H3,(H,10,12)(H,11,13).
What are the key properties of N-(4-formamido-2,4-dimethylpentan-2-yl)formamide?
N-(4-formamido-2,4-dimethylpentan-2-yl)formamide has a molecular weight of 186.25 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formamido-2,4-dimethylpentan-2-yl)formamide is sourced from PubChem (CID 19049742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).