N-(4-formamidopentan-2-yl)formamide

C7H14N2O2 — CID 174912100

IUPACN-(4-formamidopentan-2-yl)formamide
SMILESCC(CC(C)NC=O)NC=O
InChIInChI=1S/C7H14N2O2/c1-6(8-4-10)3-7(2)9-5-11/h4-7H,3H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyPVWGJEWYGPHOIE-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.35
Rot. Bonds6

About N-(4-formamidopentan-2-yl)formamide

N-(4-formamidopentan-2-yl)formamide (PubChem CID 174912100) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-(4-formamidopentan-2-yl)formamide.

Molecular Properties

Compound NameN-(4-formamidopentan-2-yl)formamide
PubChem CID174912100
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-(4-formamidopentan-2-yl)formamide
SMILESCC(CC(C)NC=O)NC=O
InChIInChI=1S/C7H14N2O2/c1-6(8-4-10)3-7(2)9-5-11/h4-7H,3H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyPVWGJEWYGPHOIE-UHFFFAOYSA-N
XLogP-0.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.35
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-formamidopentan-2-yl)formamide?
The IUPAC name of N-(4-formamidopentan-2-yl)formamide (CID 174912100) is N-(4-formamidopentan-2-yl)formamide.
What is the SMILES notation for N-(4-formamidopentan-2-yl)formamide?
The canonical SMILES for N-(4-formamidopentan-2-yl)formamide is CC(CC(C)NC=O)NC=O.
What is the InChIKey of N-(4-formamidopentan-2-yl)formamide?
The InChIKey is PVWGJEWYGPHOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(8-4-10)3-7(2)9-5-11/h4-7H,3H2,1-2H3,(H,8,10)(H,9,11).
What are the key properties of N-(4-formamidopentan-2-yl)formamide?
N-(4-formamidopentan-2-yl)formamide has a molecular weight of 158.20 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formamidopentan-2-yl)formamide is sourced from PubChem (CID 174912100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).