N-formyl-N-(N-pentylanilino)formamide

C13H18N2O2 — CID 174978082

IUPACN-formyl-N-(N-pentylanilino)formamide
SMILESCCCCCN(c1ccccc1)N(C=O)C=O
InChIInChI=1S/C13H18N2O2/c1-2-3-7-10-15(14(11-16)12-17)13-8-5-4-6-9-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3
InChIKeyDZPXSHOYHSIXBJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.21
Rot. Bonds8

About N-formyl-N-(N-pentylanilino)formamide

N-formyl-N-(N-pentylanilino)formamide (PubChem CID 174978082) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-formyl-N-(N-pentylanilino)formamide.

Molecular Properties

Compound NameN-formyl-N-(N-pentylanilino)formamide
PubChem CID174978082
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-formyl-N-(N-pentylanilino)formamide
SMILESCCCCCN(c1ccccc1)N(C=O)C=O
InChIInChI=1S/C13H18N2O2/c1-2-3-7-10-15(14(11-16)12-17)13-8-5-4-6-9-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3
InChIKeyDZPXSHOYHSIXBJ-UHFFFAOYSA-N
XLogP2.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formyl-N-(N-pentylanilino)formamide?
The IUPAC name of N-formyl-N-(N-pentylanilino)formamide (CID 174978082) is N-formyl-N-(N-pentylanilino)formamide.
What is the SMILES notation for N-formyl-N-(N-pentylanilino)formamide?
The canonical SMILES for N-formyl-N-(N-pentylanilino)formamide is CCCCCN(c1ccccc1)N(C=O)C=O.
What is the InChIKey of N-formyl-N-(N-pentylanilino)formamide?
The InChIKey is DZPXSHOYHSIXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-3-7-10-15(14(11-16)12-17)13-8-5-4-6-9-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3.
What are the key properties of N-formyl-N-(N-pentylanilino)formamide?
N-formyl-N-(N-pentylanilino)formamide has a molecular weight of 234.30 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-(N-pentylanilino)formamide is sourced from PubChem (CID 174978082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).