6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide

C25H36FN3O3 — CID 42793784

IUPAC6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)CCCCCN)C(C)(C)C)o1
InChIInChI=1S/C25H36FN3O3/c1-19-9-14-22(32-19)17-28(16-20-10-12-21(26)13-11-20)24(31)18-29(25(2,3)4)23(30)8-6-5-7-15-27/h9-14H,5-8,15-18,27H2,1-4H3
InChIKeyRQSDDJLBFWWJBV-UHFFFAOYSA-N
MW445.58 g/mol
LogP4.40
Rot. Bonds11

About 6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide

6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide (PubChem CID 42793784) has the molecular formula C25H36FN3O3 and a molecular weight of 445.58 g/mol. Its IUPAC name is 6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide
PubChem CID42793784
Molecular FormulaC25H36FN3O3
Molecular Weight445.58 g/mol
Exact Mass445.27
IUPAC Name6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)CCCCCN)C(C)(C)C)o1
InChIInChI=1S/C25H36FN3O3/c1-19-9-14-22(32-19)17-28(16-20-10-12-21(26)13-11-20)24(31)18-29(25(2,3)4)23(30)8-6-5-7-15-27/h9-14H,5-8,15-18,27H2,1-4H3
InChIKeyRQSDDJLBFWWJBV-UHFFFAOYSA-N
XLogP4.40
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.58
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylheptanamide
CID 4118080
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]dodecanamide
CID 98397338
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-tert-butyl-2-(4-methoxyphenyl)acetamide
CID 42772831
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 1058347
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]butanamide
CID 4163452
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42773134
ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate
CID 5046360
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42773137
N-(3-ethoxypropyl)-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4695356
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide
CID 3882073
4-bromo-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4088563

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide?
The IUPAC name of 6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide (CID 42793784) is 6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide.
What is the SMILES notation for 6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide?
The canonical SMILES for 6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide is Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)CCCCCN)C(C)(C)C)o1.
What is the InChIKey of 6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide?
The InChIKey is RQSDDJLBFWWJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FN3O3/c1-19-9-14-22(32-19)17-28(16-20-10-12-21(26)13-11-20)24(31)18-29(25(2,3)4)23(30)8-6-5-7-15-27/h9-14H,5-8,15-18,27H2,1-4H3.
What are the key properties of 6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide?
6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide has a molecular weight of 445.58 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]hexanamide is sourced from PubChem (CID 42793784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).