N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide

C20H30FN3O2 — CID 24678029

IUPACN-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C20H30FN3O2/c1-2-6-18(19(25)22-13-15-7-4-3-5-8-15)24-20(26)23-14-16-9-11-17(21)12-10-16/h9-12,15,18H,2-8,13-14H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyQZTWJYSRENDGRZ-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.49
Rot. Bonds8

About N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide

N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide (PubChem CID 24678029) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
PubChem CID24678029
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC NameN-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C20H30FN3O2/c1-2-6-18(19(25)22-13-15-7-4-3-5-8-15)24-20(26)23-14-16-9-11-17(21)12-10-16/h9-12,15,18H,2-8,13-14H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyQZTWJYSRENDGRZ-UHFFFAOYSA-N
XLogP3.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
CID 99808381
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
1-[(4-fluorophenyl)methyl]-3-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea;hydrochloride
CID 119541243
1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride
CID 119647170
N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride
CID 119616288
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide
CID 120602332
1-[(4-fluorophenyl)methyl]-3-[1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]urea
CID 42933803
2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
CID 51323356
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24606174
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136
3-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl-methylamino]-2-methylpropanoic acid
CID 119228249

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide (CID 24678029) is N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
The InChIKey is QZTWJYSRENDGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-2-6-18(19(25)22-13-15-7-4-3-5-8-15)24-20(26)23-14-16-9-11-17(21)12-10-16/h9-12,15,18H,2-8,13-14H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide has a molecular weight of 363.48 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide is sourced from PubChem (CID 24678029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).