N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C22H28FN3O2 — CID 56966632

IUPACN-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCCNC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H28FN3O2/c1-15(2)14-17-4-6-18(7-5-17)16(3)21(27)24-12-13-25-22(28)26-20-10-8-19(23)9-11-20/h4-11,15-16H,12-14H2,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyNJUYBBJIYPULFM-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.07
Rot. Bonds8

About N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 56966632) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID56966632
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCCNC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H28FN3O2/c1-15(2)14-17-4-6-18(7-5-17)16(3)21(27)24-12-13-25-22(28)26-20-10-8-19(23)9-11-20/h4-11,15-16H,12-14H2,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyNJUYBBJIYPULFM-UHFFFAOYSA-N
XLogP4.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 56966632) is N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)NCCNC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is NJUYBBJIYPULFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-15(2)14-17-4-6-18(7-5-17)16(3)21(27)24-12-13-25-22(28)26-20-10-8-19(23)9-11-20/h4-11,15-16H,12-14H2,1-3H3,(H,24,27)(H2,25,26,28).
What are the key properties of N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 385.48 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 56966632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).