N-(3-anilinopropyl)formamide

C10H14N2O — CID 10726006

IUPACN-(3-anilinopropyl)formamide
SMILESO=CNCCCNc1ccccc1
InChIInChI=1S/C10H14N2O/c13-9-11-7-4-8-12-10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2,(H,11,13)
InChIKeyYUHGQXXLQJIHAG-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.23
Rot. Bonds6

About N-(3-anilinopropyl)formamide

N-(3-anilinopropyl)formamide (PubChem CID 10726006) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(3-anilinopropyl)formamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)formamide
PubChem CID10726006
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-(3-anilinopropyl)formamide
SMILESO=CNCCCNc1ccccc1
InChIInChI=1S/C10H14N2O/c13-9-11-7-4-8-12-10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2,(H,11,13)
InChIKeyYUHGQXXLQJIHAG-UHFFFAOYSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)formamide?
The IUPAC name of N-(3-anilinopropyl)formamide (CID 10726006) is N-(3-anilinopropyl)formamide.
What is the SMILES notation for N-(3-anilinopropyl)formamide?
The canonical SMILES for N-(3-anilinopropyl)formamide is O=CNCCCNc1ccccc1.
What is the InChIKey of N-(3-anilinopropyl)formamide?
The InChIKey is YUHGQXXLQJIHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-9-11-7-4-8-12-10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2,(H,11,13).
What are the key properties of N-(3-anilinopropyl)formamide?
N-(3-anilinopropyl)formamide has a molecular weight of 178.24 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)formamide is sourced from PubChem (CID 10726006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).