N-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide

C22H36FN5O3 — CID 142360453

IUPACN-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide
SMILESCNC(=O)N(CCCCCNNC(c1ccc(F)c(OCC2CC2)c1)C(C)C)NC=O
InChIInChI=1S/C22H36FN5O3/c1-16(2)21(18-9-10-19(23)20(13-18)31-14-17-7-8-17)27-25-11-5-4-6-12-28(26-15-29)22(30)24-3/h9-10,13,15-17,21,25,27H,4-8,11-12,14H2,1-3H3,(H,24,30)(H,26,29)
InChIKeyKZZBHCBFPZIUKV-UHFFFAOYSA-N
MW437.56 g/mol
LogP2.88
Rot. Bonds15

About N-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide

N-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide (PubChem CID 142360453) has the molecular formula C22H36FN5O3 and a molecular weight of 437.56 g/mol. Its IUPAC name is N-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide.

Molecular Properties

Compound NameN-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide
PubChem CID142360453
Molecular FormulaC22H36FN5O3
Molecular Weight437.56 g/mol
Exact Mass437.28
IUPAC NameN-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide
SMILESCNC(=O)N(CCCCCNNC(c1ccc(F)c(OCC2CC2)c1)C(C)C)NC=O
InChIInChI=1S/C22H36FN5O3/c1-16(2)21(18-9-10-19(23)20(13-18)31-14-17-7-8-17)27-25-11-5-4-6-12-28(26-15-29)22(30)24-3/h9-10,13,15-17,21,25,27H,4-8,11-12,14H2,1-3H3,(H,24,30)(H,26,29)
InChIKeyKZZBHCBFPZIUKV-UHFFFAOYSA-N
XLogP2.88
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide?
The IUPAC name of N-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide (CID 142360453) is N-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide.
What is the SMILES notation for N-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide?
The canonical SMILES for N-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide is CNC(=O)N(CCCCCNNC(c1ccc(F)c(OCC2CC2)c1)C(C)C)NC=O.
What is the InChIKey of N-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide?
The InChIKey is KZZBHCBFPZIUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36FN5O3/c1-16(2)21(18-9-10-19(23)20(13-18)31-14-17-7-8-17)27-25-11-5-4-6-12-28(26-15-29)22(30)24-3/h9-10,13,15-17,21,25,27H,4-8,11-12,14H2,1-3H3,(H,24,30)(H,26,29).
What are the key properties of N-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide?
N-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide has a molecular weight of 437.56 g/mol, XLogP of 2.88, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl-(methylcarbamoyl)amino]formamide is sourced from PubChem (CID 142360453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).